SCHEMBL14780386

SCHEMBL14780386

CSc1nc2c(NCc3ccco3)ncnc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.56
CDK1 P06493 2/20 0.56
CCNB1 P14635 2/20 0.56
CCNB3 Q8WWL7 2/20 0.56
SMN1; SMN2 Q16637 9/20 0.52
TSHR P16473 5/20 0.52
POLB P06746 4/20 0.52
KMT2A Q03164 3/20 0.52
HIF1A Q16665 2/20 0.52
MEN1 O00255 2/20 0.52
ALOX15 P16050 2/20 0.52
CYP1A2 P05177 2/20 0.52
TP53 P04637 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
KDR P35968 1/20 0.52
HTT P42858 6/20 0.49
HPGD P15428 6/20 0.49
LMNA P02545 6/20 0.49
MAPK1 P28482 5/20 0.49
KDM4E B2RXH2 5/20 0.49

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
SCHEMBL14780387 0.85 SMN1; SMN2 (0.60) CCNB2CDK1CCNB1CCNB3SMN1; SMN2
SCHEMBL17009464 0.84 CCNB2 (0.56) CCNB2CDK1CCNB1CCNB3SMN1; SMN2
SCHEMBL14779321 0.83 SMN1; SMN2 (0.56) CCNB2CDK1CCNB1CCNB3SMN1; SMN2
SCHEMBL14779858 0.81 SMN1; SMN2 (0.55) CCNB2CDK1CCNB1CCNB3SMN1; SMN2
SCHEMBL14779454 0.81 SMN1; SMN2 (0.55) CCNB2CDK1CCNB1CCNB3SMN1; SMN2
SCHEMBL14780041 0.81 SMN1; SMN2 (0.55) CCNB2CDK1CCNB1CCNB3SMN1; SMN2
SCHEMBL14778188 0.81 CCNB2 (0.53) CCNB2CDK1CCNB1CCNB3SMN1; SMN2
SCHEMBL14778103 0.81 HPGD (0.54) CCNB2CDK1CCNB1CCNB3SMN1; SMN2
SCHEMBL17009429 0.81 SMN1; SMN2 (0.52) CCNB2CDK1CCNB1CCNB3SMN1; SMN2
SCHEMBL14778705 0.80 CDK1 (0.53) CCNB2CDK1CCNB1CCNB3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072506-A1 6,8-DISUBSTITUTED PURINE COMPOSITIONS ZAHAJSKA LENKA (CZ) 2013-03-21 US claimed
EP-2755977-A1 6, 8- DISUBSTITUTED PURINE COMPOSITIONS AND THEIR PHARMACEUTICAL AND COSMETIC USE Univerzita Palackého v Olomouci (CZ) 2014-07-23 EP disclosed
WO-2013037333-A1 6, 8- DISUBSTITUTED PURINE COMPOSITIONS AND THEIR PHARMACEUTICAL AND COSMETIC USE UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2013-03-21 WO disclosed
US-20130072506-A1 6,8-DISUBSTITUTED PURINE COMPOSITIONS ZAHAJSKA LENKA (CZ) 2013-03-21 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-20130072506-A1 6,8-DISUBSTITUTED PURINE COMPOSITIONS UNG, PNP, UMPS CCNB2 388/4885CDK1 624/4885CCNB1 534/4885

“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.