SCHEMBL14516619

SCHEMBL14516619

Cn1ccc(-c2cnn3c(N)cc([C@@H]4CC[C@H](N)C4)nc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.50
CCNA2 P20248 13/20 0.50
CDK2 P24941 13/20 0.50
CCNA1 P78396 13/20 0.50
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 4/20 0.42
NPC1 O15118 4/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
GFER P55789 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41

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
SCHEMBL11931029 0.86 CHEK1 (0.66) CHEK1CCNA2CDK2CCNA1
SCHEMBL11931024 0.86 CHEK1 (0.66) CHEK1CCNA2CDK2CCNA1
SCHEMBL6894448 0.81 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL11931030 0.80 CHEK1 (0.70) CHEK1CCNA2CDK2CCNA1
SCHEMBL14516620 0.80 CHEK1 (0.55) CHEK1CCNA2CDK2CCNA1
SCHEMBL6894127 0.79 CHEK1 (0.44) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL6891866 0.79 CHEK1 (0.51) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL13673067 0.79 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL14232415 0.79 CHEK1 (0.48) CHEK1CCNA2CDK2CCNA1
SCHEMBL14232221 0.79 CHEK1 (0.48) CHEK1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070082900-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-04-12 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-20070082900-A1 Methods for inhibiting protein kinases PIM1, AURKC, PIM3 CHEK1 8/4885CCNA2 1270/4885CDK2 64/4885

“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.