SCHEMBL12503575

SCHEMBL12503575

Nc1nccc(Cl)c1N=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGMT P16455 3/20 0.35
▸ NOS3 P29474 6/20 0.34
▸ NOS2 P35228 6/20 0.34
▸ CDK1 P06493 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ NOS1 P29475 3/20 0.32
▸ NR4A2 P43354 1/20 0.32
▸ DAO P14920 1/20 0.32
▸ F12 P00748 1/20 0.32
▸ PLAU P00749 1/20 0.32
▸ NCF1 P14598 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10765947 0.78 NOS3 (0.37) MGMTNOS3NOS2CDK1CDK2
SCHEMBL18791377 0.78 DAO (0.34) DAOMAPTKDM4EMEN1KMT2A
SCHEMBL19345071 0.75 MGMT (0.35) MGMTNOS3NOS2CDK1CDK2
SCHEMBL12528205 0.75 NOS2 (0.54) MGMTNOS3NOS2CDK1CDK2
SCHEMBL13827094 0.75 MAPT (0.35) DAOMAPTKMT2AAXLPRKCI
SCHEMBL13911701 0.71 NR4A2 (0.36) MGMTNR4A2NCF1MAPTGAA
SCHEMBL29479544 0.70 — —
SCHEMBL559525 0.70 — —
SCHEMBL1056076 0.70 — —
SCHEMBL23323388 0.68 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 — — EP disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 — — US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 — — US disclosed
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 — — US disclosed
US-10329309-B2 3-(3H-imidazo[4,5-B]pyridin-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-06-25 — — US disclosed
US-10280166-B2 2-(1H-indazol-3-yl)-3H-imidazo[4,5-B]pyridine and therapeutic uses thereof SAMUMED, LLC (US) 2019-05-07 — — US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 — — US disclosed
US-20180222923-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B] PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 2018-08-09 — — US disclosed
US-20180201624-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-07-19 — — US disclosed
US-10023572-B2 2-(1h-indazol-3-yl)-3h-imidazo[4,5-b]pyridine and therapeutic uses thereof SAMUMED, LLC (US) 2018-07-17 — — US disclosed
US-20180148444-A1 2-(1H-INDAZOL-3-YL)-3H-IMIDAZO[4,5-B]PYRIDINE AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2018-05-31 — — US disclosed
US-20180141963-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINE AND THERAPEUTIC USES THEREOF MED-PATHWAYS II LIMITED (VG) 2018-05-24 — — US disclosed
US-20170260209-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2017-09-14 — — US disclosed
US-9758531-B2 3-(3H-imidazo[4,5-B]pyridin-2-yl)-1H-pyrazolo[3,4-B]pyridine and therapeutic uses thereof SAMUMED, LLC (US) 2017-09-12 — — US disclosed
US-9738638-B2 2-(1H-indazol-3-yl)-3H-imidazo[4,5-B]pyridine and therapeutic uses thereof SAMUMED, LLC (US) 2017-08-22 — — US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 — — US disclosed
US-9725447-B2 1-(5-tert-butyl-2-aryl-pyrazol-3-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea derivatives as RAF inhibitors for the treatment of cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-08-08 — — US disclosed
US-7973160-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 — — US disclosed
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN MGMT 2817/4885NOS3 3593/4885NOS2 4049/4885
US-20100197911-A1 Nitrogen-Containing Aromatic Derivatives GNG2, GCG, FRG1 MGMT 2814/4885NOS3 1468/4885NOS2 599/4885
US-20180148444-A1 2-(1H-INDAZOL-3-YL)-3H-IMIDAZO[4,5-B]PYRIDINE AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A MGMT 4038/4885NOS3 929/4885NOS2 1767/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN MGMT 3106/4885NOS3 3884/4885NOS2 4264/4885
US-10329309-B2 3-(3H-imidazo[4,5-B]pyridin-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A MGMT 2173/4885NOS3 1130/4885NOS2 3025/4885
US-20180201624-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF WNT3, WNT1, WNT3A MGMT 2925/4885NOS3 968/4885NOS2 2652/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B MGMT 1902/4885NOS3 3116/4885NOS2 2846/4885
US-20180141963-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINE AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A MGMT 2972/4885NOS3 1052/4885NOS2 2616/4885
US-10280166-B2 2-(1H-indazol-3-yl)-3H-imidazo[4,5-B]pyridine and therapeutic uses thereof WNT1, WNT3, WNT3A MGMT 4038/4885NOS3 929/4885NOS2 1767/4885
US-20170260209-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF WNT3, WNT1, WNT3A MGMT 2925/4885NOS3 968/4885NOS2 2652/4885
US-20180222923-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B] PYRIDINES AND THERAPEUTIC USES THEREOF WNT1, WNT3A, WNT3 MGMT 2902/4885NOS3 1187/4885NOS2 2764/4885
US-10023572-B2 2-(1h-indazol-3-yl)-3h-imidazo[4,5-b]pyridine and therapeutic uses thereof WNT1, WNT3, WNT3A MGMT 4038/4885NOS3 929/4885NOS2 1767/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B MGMT 1897/4885NOS3 2740/4885NOS2 2594/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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