SCHEMBL2148290

SCHEMBL2148290

Nc1cc([C@H]2C[C@H]3CC[C@@H](C2)N3)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.57
CCNA2 P20248 11/20 0.57
CDK2 P24941 11/20 0.57
CCNA1 P78396 11/20 0.57
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MTOR P42345 3/20 0.43

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
SCHEMBL14245841 1.00 CHEK1 (0.57) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL12460566 1.00 CHEK1 (0.57) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL14246610 1.00 CHEK1 (0.57) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL12461733 0.89 CHEK1 (0.49) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL2147828 0.87 CHEK1 (0.48) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL15026293 0.85 CHEK1 (0.64) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL14245984 0.85 CHEK1 (0.49) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL14245982 0.85 CHEK1 (0.49) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL12460426 0.85 CHEK1 (0.49) CHEK1CCNA2CDK2CCNA1KDM4E
Hydrochloric Acid SCHEMBL14246316 0.84 CHEK1 (0.48) CHEK1CCNA2CDK2CCNA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US claimed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US claimed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US disclosed
WO-2011090935-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-28 WO 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-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 CHEK1 587/4885CCNA2 633/4885CDK2 29/4885

“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.