SCHEMBL10234366

SCHEMBL10234366

Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3cccnc3)cnn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.53
CCNA2 P20248 7/20 0.53
CDK2 P24941 7/20 0.53
CCNA1 P78396 7/20 0.53
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
KDR P35968 3/20 0.37
MEN1 O00255 3/20 0.36
NPC1 O15118 3/20 0.36
KMT2A Q03164 3/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
KIT P10721 1/20 0.35
PIK3CD O00329 1/20 0.35

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
SCHEMBL10234384 0.94 CHEK1 (0.48) CHEK1CCNA2CDK2CCNA1ALDH1A1
SCHEMBL10234386 0.93 CHEK1 (0.49) CHEK1CCNA2CDK2CCNA1ALDH1A1
SCHEMBL10234362 0.89 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1KDR
SCHEMBL10234368 0.83 CHEK1 (0.38) CHEK1CCNA2CDK2CCNA1ALDH1A1
SCHEMBL10234375 0.83 CDK2 (0.38) CHEK1CCNA2CDK2CCNA1ALDH1A1
SCHEMBL10234363 0.82 CHEK1 (0.43) CHEK1CCNA2CDK2CCNA1ALDH1A1
SCHEMBL10238618 0.81 CHEK1 (0.57) CHEK1CCNA2CDK2CCNA1
SCHEMBL6891865 0.81 CHEK1 (0.51) CHEK1CCNA2CDK2CCNA1KDR
SCHEMBL10238632 0.81 WNT3A (0.44) CHEK1CCNA2CDK2CCNA1ALDH1A1
SCHEMBL6891750 0.81 EGFR (0.36) CHEK1CCNA2CDK2CCNA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 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 (1 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR CHEK1 461/4885CCNA2 2476/4885CDK2 165/4885

“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.