SCHEMBL12269795

SCHEMBL12269795

Cn1cncc1C#Cc1n[nH]c2cc(C(=O)NCc3ccco3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.49
▸ ALDH1A1 P00352 13/20 0.47
▸ HPGD P15428 7/20 0.47
▸ MAPT P10636 7/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ ITK Q08881 1/20 0.43
▸ RCE1 Q9Y256 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ TSHR P16473 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 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
SCHEMBL12269971 0.85 HPGD (0.45) ALDH1A1HPGDMAPTKDM4ERXFP1
SCHEMBL12269677 0.83 KDM4E (0.48) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL12317933 0.82 ATM (0.52) ATMALDH1A1HPGDMAPTKDM4E
SCHEMBL12269755 0.82 ITK (0.51) ALDH1A1HPGDKDM4EITKTSHR
SCHEMBL12269662 0.79 TDP1 (0.38) ALDH1A1HPGDKDM4EKMT2ARXFP1
SCHEMBL12269661 0.78 MAP2K4 (0.42) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL12269788 0.75 GSK3B (0.45) MAPTKDM4EMEN1KMT2APKM
SCHEMBL12269784 0.72 AKT1 (0.40) —
SCHEMBL12269673 0.70 ROCK2 (0.39) ATMALDH1A1CYP3A4TP53
SCHEMBL12619759 0.70 AXL (0.44) ATMMAPTKDM4EMEN1KMT2A

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-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2011-09-01 — — US disclosed
US-7951832-B2 Pyrazole derivatives as kinase inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-31 — — US disclosed
US-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-14 — — 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-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BRAF, MAP3K1, MAP3K3 ATM 221/4885ALDH1A1 1648/4885HPGD 2676/4885
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BRAF, MAP3K1, MAP3K3 ATM 221/4885ALDH1A1 1648/4885HPGD 2676/4885

“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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