SCHEMBL18439916

SCHEMBL18439916

COc1cccc(-c2cncc([N+](=O)[O-])c2N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.51
▸ CASP3 P42574 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ TDO2 P48775 1/20 0.48
▸ SLC22A12 Q96S37 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ PIN1 Q13526 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ FBP1 P09467 2/20 0.42
▸ LMNA P02545 4/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42

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
SCHEMBL3491442 0.84 NPC1 (0.58) NPC1CASP3RAB9ASENP7TDO2
SCHEMBL19678629 0.80 CSNK1D (0.43) NPC1RAB9ASLC22A12FBP1MAPK1
SCHEMBL7555581 0.80 NPC1 (0.51) NPC1CASP3RAB9ASENP7TDO2
SCHEMBL18439119 0.79 TDO2 (0.56) TDO2SLC22A12ADORA2AADORA1KDM4E
SCHEMBL30785680 0.76 NPC1 (0.70) NPC1CASP3RAB9ASENP7FBP1
SCHEMBL2957169 0.76 NPC1 (0.70) NPC1CASP3RAB9ASENP7FBP1
SCHEMBL2219704 0.75 CYP2A6 (0.47) NPC1TDO2LMNAMAPK1CYP1A2
SCHEMBL18474450 0.74 RAB9A (0.46) NPC1CASP3RAB9ASENP7TDO2
SCHEMBL29655122 0.74 TDP1 (0.65) NPC1CASP3RAB9ASENP7ADORA2A
SCHEMBL27292647 0.74 RAB9A (0.60) NPC1CASP3RAB9ASENP7PIN1

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-10188634-B2 3-(3H-imidazo[4,5-C]pyridin-2-yl)-1 H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2019-01-29 — — US disclosed
US-20180221354-A1 3-(3H-IMIDAZO[4,5-C]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-20180221354-A1 3-(3H-IMIDAZO[4,5-C]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-2017023988-A1 3-(3H-IMIDAZO[4,5-C]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-20180221354-A1 3-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF WNT3, WNT3A, WNT1 NPC1 3668/4885CASP3 217/4885RAB9A 2393/4885
US-10188634-B2 3-(3H-imidazo[4,5-C]pyridin-2-yl)-1 H-pyrazolo[4,3-B]pyridines and therapeutic uses thereof WNT1, WNT3, WNT3A NPC1 3691/4885CASP3 253/4885RAB9A 2386/4885

“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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