SCHEMBL18474450

SCHEMBL18474450

COc1cccc(-c2ccnc([N+](=O)[O-])c2N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ CASP3 P42574 2/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ TDO2 P48775 1/20 0.45
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ MAPT P10636 4/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ABCG2 Q9UNQ0 3/20 0.41
▸ MAOB P27338 1/20 0.41
▸ CDK1 P06493 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41

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
SCHEMBL4937390 0.82 RAB9A (0.46) RAB9ANPC1CASP3SENP7DYRK1A
SCHEMBL4938505 0.79 DYRK1A (0.54) RAB9ADYRK1ACLK4TDO2ADORA2A
SCHEMBL3491442 0.79 NPC1 (0.58) RAB9ANPC1CASP3SENP7TDO2
SCHEMBL7555581 0.77 NPC1 (0.51) RAB9ANPC1CASP3SENP7TDO2
SCHEMBL4939582 0.77 RAB9A (0.46) RAB9ANPC1CASP3SENP7DYRK1A
SCHEMBL8792107 0.74 DYRK1A (0.46) RAB9ANPC1CASP3SENP7DYRK1A
SCHEMBL18439916 0.74 NPC1 (0.51) RAB9ANPC1CASP3SENP7TDO2
SCHEMBL18438030 0.73 RAB9A (0.49) RAB9ANPC1CASP3SENP7TDO2
SCHEMBL4937863 0.71 MAOB (0.47) RAB9ANPC1CASP3SENP7CLK4
SCHEMBL2957169 0.71 NPC1 (0.70) RAB9ANPC1CASP3SENP7MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
WO-2017024015-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — 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 (2 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-10329309-B2 3-(3H-imidazo[4,5-B]pyridin-2-yl)-1H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A RAB9A 1608/4885NPC1 3440/4885CASP3 390/4885
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 RAB9A 2268/4885NPC1 3698/4885CASP3 269/4885

“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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