SCHEMBL3023902

SCHEMBL3023902

COc1ccc(N(c2ccccc2)c2c(C#N)c(Cl)nn3ccnc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ HPGD P15428 3/20 0.41
▸ NTRK1 P04629 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ PIK3CG P48736 2/20 0.35
▸ ADORA1 P30542 2/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL3013620 0.85 ALDH1A1 (0.38) ALDH1A1HPGDNTRK1PIM1KMT2A
SCHEMBL3022050 0.67 CYP19A1 (0.37) ALDH1A1HPGDNTRK1PIM1KMT2A
SCHEMBL3019931 0.67 PIK3CG (0.45) ALDH1A1HPGDNTRK1PIM1KMT2A
SCHEMBL31145663 0.67 POLB (0.43) ALDH1A1HPGDKMT2AMAPTMEN1
SCHEMBL6033721 0.63 CA4 (0.59) ALDH1A1HPGDKMT2AMAPTKDM4E
SCHEMBL10065554 0.63 CA4 (0.59) ALDH1A1HPGDKMT2AMAPTKDM4E
SCHEMBL3339294 0.63 CA4 (0.59) ALDH1A1HPGDKMT2AMAPTKDM4E
SCHEMBL13720899 0.63 CA4 (0.59) ALDH1A1HPGDKMT2AMAPTKDM4E
SCHEMBL10065630 0.63 CA4 (0.59) ALDH1A1HPGDKMT2AMAPTKDM4E
SCHEMBL578164 0.63 CA4 (0.59) ALDH1A1HPGDKMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 — — US disclosed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 — — US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — 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-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 ALDH1A1 3952/4885HPGD 2387/4885NTRK1 932/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 ALDH1A1 4291/4885HPGD 3457/4885NTRK1 894/4885

“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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