SCHEMBL3048431

SCHEMBL3048431

COc1ccnc(Nc2ccc(Cl)c(O)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.47
RET P07949 1/20 0.47
KIF5B P33176 1/20 0.47
PIK3CA P42336 3/20 0.46
PIK3CB P42338 3/20 0.46
PIK3CG P48736 3/20 0.46
AURKB Q96GD4 4/20 0.44
AURKA O14965 3/20 0.44
SYK P43405 3/20 0.44
CDC7 O00311 1/20 0.44
CCNK O75909 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
PLK1 P53350 2/20 0.43
PTK2 Q05397 2/20 0.43
BRD4 O60885 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 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
SCHEMBL3041521 0.85 KDR (0.56) KDRRETKIF5BAURKBAURKA
SCHEMBL3042390 0.82 KDR (0.46) KDRRETKIF5BPIK3CAPIK3CB
SCHEMBL3044816 0.79 SCN9A (0.61) AURKAMAPK1BRAFEGFR
SCHEMBL13138534 0.78 BRD4 (0.44) PIK3CAPIK3CBPIK3CGAURKBAURKA
SCHEMBL3034640 0.78 BRAF (0.52) KDRRETKIF5BAURKBAURKA
SCHEMBL13138525 0.77 CCNK (0.43) PIK3CAPIK3CBPIK3CGAURKBAURKA
SCHEMBL16205252 0.74 SYK (0.47) KDRPIK3CAPIK3CBPIK3CGAURKB
SCHEMBL19998633 0.74 CDK2 (0.51) KDRPIK3CAPIK3CGAURKBAURKA
SCHEMBL1121101 0.74 MEN1 (0.53) PIK3CAPIK3CBPIK3CGAURKASYK
SCHEMBL2280151 0.73 AURKA (0.59) KDRAURKBAURKASYKCDK2

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-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 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-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 KDR 1458/4885RET 81/4885KIF5B 3426/4885

“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.