SCHEMBL12269661

SCHEMBL12269661

COC(=O)c1ccc2c(C#Cc3cncn3C)n[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 2/20 0.42
▸ PARP1 P09874 3/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ KIF11 P52732 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ PKM P14618 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ DYRK1A Q13627 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ CDK7 P50613 1/20 0.36

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
SCHEMBL12269662 0.88 TDP1 (0.38) MAP2K4PARP1CSNK2A1HTR7HTR6
SCHEMBL12269788 0.80 GSK3B (0.45) KMT2AKDM4EHSD17B10PKMPOLB
SCHEMBL12269673 0.79 ROCK2 (0.39) ALDH1A1GAADYRK1A
SCHEMBL12269677 0.78 KDM4E (0.48) ALDH1A1KMT2AKDM4EHSD17B10GLA
SCHEMBL12269795 0.78 ATM (0.49) ALDH1A1KMT2AKDM4EHSD17B10PKM
SCHEMBL12269971 0.78 HPGD (0.45) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL12317929 0.78 MAP2K4 (0.53) MAP2K4PARP1CSNK2A1KIF11HTR7
SCHEMBL12269755 0.77 ITK (0.51) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL12269784 0.77 AKT1 (0.40) —
SCHEMBL13844313 0.76 ATM (0.37) KMT2ADYRK1AMEN1

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 MAP2K4 225/4885PARP1 549/4885CSNK2A1 208/4885
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BRAF, MAP3K1, MAP3K3 MAP2K4 225/4885PARP1 549/4885CSNK2A1 208/4885

“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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