SCHEMBL5152257

SCHEMBL5152257

COc1cccc(-n2c(-c3cccc(C#N)c3)nc3cnc(NC(F)Cc4ccccc4)nc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 17/20 0.51
CYP3A4 P08684 15/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
BRCA1 P38398 2/20 0.51
CASP1 P29466 13/20 0.48
CASP7 P55210 10/20 0.48
CYP1A2 P05177 11/20 0.44
ALDH1A1 P00352 10/20 0.44
CYP2C9 P11712 7/20 0.44
HSD17B10 Q99714 6/20 0.44
CYP2C19 P33261 5/20 0.44
CLK4 Q9HAZ1 4/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 9/20 0.42
HIF1A Q16665 9/20 0.42
LMNA P02545 4/20 0.42
CYP2D6 P10635 3/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40

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
SCHEMBL5153474 0.89 TP53 (0.45) USP2CYP3A4MEN1KMT2ABRCA1
SCHEMBL5153106 0.82 SMN1; SMN2 (0.44) USP2CYP3A4MEN1KMT2ABRCA1
SCHEMBL5152247 0.80 USP2 (0.48) USP2CYP3A4MEN1KMT2ABRCA1
SCHEMBL5156664 0.76 ADORA2A (0.55) USP2CYP3A4MEN1KMT2ABRCA1
SCHEMBL4507905 0.73 ADORA2A (0.46) USP2CYP3A4MEN1KMT2ABRCA1
SCHEMBL5155804 0.72 CYP1A2 (0.52) USP2CYP3A4MEN1KMT2ABRCA1
SCHEMBL5152091 0.72 CYP1A2 (0.52) USP2CYP3A4MEN1KMT2ABRCA1
SCHEMBL4524133 0.70 ADORA2A (0.69) ADORA2AADORA1
SCHEMBL5336593 0.70 CYP1A2 (0.50) USP2CYP3A4MEN1KMT2ABRCA1
SCHEMBL4532246 0.69 ADORA2A (0.64) ADORA2AADORA1

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-20070225304-A1 AMINOPURINE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2007-09-27 US disclosed
WO-2007030438-A2 AMINOPURINE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-03-15 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-20070225304-A1 AMINOPURINE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES TPMT, ADORA2A, ENTPD5 USP2 2651/4885CYP3A4 2471/4885MEN1 4507/4885

“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.