SCHEMBL15026293

SCHEMBL15026293

Nc1cc(C2CCCCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.64
CCNA2 P20248 12/20 0.64
CDK2 P24941 12/20 0.64
CCNA1 P78396 12/20 0.64
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CAMKK1 Q8N5S9 1/20 0.44

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
SCHEMBL17850056 0.89 CHEK1 (0.56) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL21483 0.89 CHEK1 (0.56) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL15007512 0.89 CHEK1 (0.56) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL15007509 0.88 CHEK1 (0.55) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL2148290 0.85 CHEK1 (0.57) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL14246610 0.85 CHEK1 (0.57) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL12460566 0.85 CHEK1 (0.57) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL14245841 0.85 CHEK1 (0.57) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL20761 0.85 CHEK1 (0.52) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL20332 0.84 CHEK1 (0.52) 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-8703784-B2 Substituted pyrazolo[1,5-a]pyrido[3.2-e]pyrimidin-6-one inhibitors of mammalian target of rapamycin MERCK SHARP & DOHME CORP. (US) 2014-04-22 US disclosed
US-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MERCK SHARP & DOHME LLC 2013-06-13 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-20130150353-A1 Fused Tricyclic Inhibitors of Mammalian Target of Rapamycin MTOR, RICTOR, RPTOR CHEK1 1496/4885CCNA2 1900/4885CDK2 379/4885

“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.