SCHEMBL2932977

SCHEMBL2932977

O=C(O)c1ccc2[nH]c(Nc3cc4ccccc4cn3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.52
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 2/20 0.43
DDX3X O00571 1/20 0.42
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.40
MAOB P27338 1/20 0.40
ADORA2A P29274 1/20 0.40
SCD O00767 1/20 0.40
HCAR3 P49019 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL4244217 0.91 AKR1C3 (0.52) AKR1C3NPC1RAB9ASMN1; SMN2POLB
SCHEMBL2929260 0.87 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2POLBCYP1A2
SCHEMBL2925610 0.83 NPC1 (0.63) AKR1C3NPC1RAB9ASMN1; SMN2POLB
SCHEMBL1201545 0.81 RAB9A (0.50) AKR1C3NPC1RAB9ASMN1; SMN2POLB
SCHEMBL2929452 0.81 AKR1C3 (0.71) AKR1C3NPC1RAB9ASMN1; SMN2POLB
SCHEMBL2932310 0.80 TOP1 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2932304 0.78 RAB9A (0.49) NPC1RAB9ASMN1; SMN2POLBGAA
SCHEMBL1202646 0.77 KDM4E (0.49) NPC1RAB9ASMN1; SMN2CYP1A2TSHR
SCHEMBL1202450 0.76 DDX3X (0.42) AKR1C3NPC1RAB9ASMN1; SMN2POLB
SCHEMBL1966454 0.76 AKR1C3 (0.54) AKR1C3NPC1RAB9ASMN1; SMN2POLB

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-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 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 (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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB AKR1C3 944/4885NPC1 653/4885RAB9A 3858/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB AKR1C3 944/4885NPC1 653/4885RAB9A 3858/4885

“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.