SCHEMBL3711167

SCHEMBL3711167

CNc1cc(Cl)nc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NOS3 P29474 1/20 0.45
▸ NOS2 P35228 1/20 0.45
▸ GAA P10253 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SYK P43405 1/20 0.36
▸ AURKA O14965 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ NUDT1 P36639 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TP53 P04637 1/20 0.33

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
SCHEMBL29849205 1.00 MEN1 (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL17812892 0.83 NOS3 (0.54) NPC1RAB9ASMN1; SMN2NOS3NOS2
SCHEMBL2721693 0.80 KMT2A (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2240889 0.79 NOS3 (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13116022 0.77 NOS3 (0.61) NPC1RAB9ASMN1; SMN2NOS3NOS2
SCHEMBL30689573 0.77 NOS3 (0.61) NPC1RAB9ASMN1; SMN2NOS3NOS2
SCHEMBL113085 0.77 — —
SCHEMBL9592998 0.77 GAA (0.46) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL12411085 0.77 MEN1 (0.44) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL20877852 0.77 KMT2A (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 — — US disclosed
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 — — US disclosed
CN-116425742-A Bicyclic heteroaryl compounds and uses thereof 锐新医药公司 2023-07-14 — — CN disclosed
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 — — EP disclosed
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 — — EP disclosed
WO-2022170802-A1 PYRIMIDO-PYRIDONE DERIVATIVE AS SOS1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州阿尔脉生物科技有限公司 2022-08-18 — — WO disclosed
CN-114901662-A Bicyclic heteroaryl compounds and uses thereof 锐新医药公司 2022-08-12 — — CN disclosed
US-11168102-B1 Bicyclic heteroaryl compounds and uses thereof Revolution Medicines, Inc. (US) 2021-11-09 — — US disclosed
US-11168102-B1 Bicyclic heteroaryl compounds and uses thereof Revolution Medicines, Inc. (US) 2021-11-09 — — US disclosed
CN-1976905-A Pyrimidine derivatives and methods of treatment related to their use TAISHO PHARMACEUTICAL CO LTD (JP) 2007-06-06 — — CN disclosed
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 — — EP disclosed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 — — WO disclosed
EP-0434341-B1 Diazine derivatives ZENECA LTD (GB) 1995-05-17 — — EP disclosed
EP-0422178-B1 PYRIMIDINE DERIVATIVES ZENECA LTD (GB) 1994-10-05 — — EP disclosed
US-5252567-A Cardiovascular disorders, sino-atrial node effects IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-12 — — US disclosed
US-5223505-A PYRIMIDINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-29 — — US disclosed
EP-0434341-A1 Diazine derivatives ZENECA LIMITED (GB) 1991-06-26 — — EP disclosed
EP-0422178-A1 PYRIMIDINE DERIVATIVES. ICI PLC (GB) 1991-04-17 — — EP disclosed
WO-1990012790-A1 PYRIMIDINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-11-01 — — WO 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 (3 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 MEN1 1290/4885KMT2A 1222/4885NPC1 410/4885
US-11168102-B1 Bicyclic heteroaryl compounds and uses thereof SOS1, SOST, SOS2 MEN1 207/4885KMT2A 4532/4885NPC1 127/4885
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 MEN1 305/4885KMT2A 4618/4885NPC1 130/4885

“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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