SCHEMBL14780387

SCHEMBL14780387

CSc1nc2ncnc(NCc3ccco3)c2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.60
TSHR P16473 5/20 0.60
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
HIF1A Q16665 2/20 0.60
ALOX15 P16050 2/20 0.60
CYP1A2 P05177 2/20 0.60
TP53 P04637 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
KDR P35968 1/20 0.60
POLB P06746 4/20 0.51
HTT P42858 6/20 0.51
LMNA P02545 6/20 0.51
KDM4E B2RXH2 5/20 0.51
MAPT P10636 5/20 0.51
HPGD P15428 5/20 0.51
MAPK1 P28482 5/20 0.51
ALDH1A1 P00352 4/20 0.51
USP2 O75604 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL20120017 0.85 SMN1; SMN2 (0.65) SMN1; SMN2TSHRKMT2AMEN1HIF1A
SCHEMBL14780386 0.85 CCNB2 (0.56) SMN1; SMN2TSHRKMT2AMEN1HIF1A
SCHEMBL14779455 0.82 SMN1; SMN2 (0.64) SMN1; SMN2TSHRKMT2AMEN1HIF1A
SCHEMBL14780042 0.82 SMN1; SMN2 (0.64) SMN1; SMN2TSHRKMT2AMEN1HIF1A
SCHEMBL14779322 0.82 SMN1; SMN2 (0.64) SMN1; SMN2TSHRKMT2AMEN1HIF1A
SCHEMBL14779860 0.82 SMN1; SMN2 (0.64) SMN1; SMN2TSHRKMT2AMEN1HIF1A
SCHEMBL14778189 0.81 SMN1; SMN2 (0.60) SMN1; SMN2TSHRKMT2AMEN1HIF1A
SCHEMBL14778104 0.81 SMN1; SMN2 (0.60) SMN1; SMN2TSHRKMT2AMEN1HIF1A
SCHEMBL14778707 0.81 CSF1R (0.69) SMN1; SMN2TSHRKMT2AMEN1CYP1A2
SCHEMBL14778028 0.78 SMN1; SMN2 (0.56) SMN1; SMN2TSHRKMT2AMEN1HIF1A

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 SMN1; SMN2 3262/4885TSHR 3236/4885KMT2A 2480/4885

“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.