SCHEMBL5155796

SCHEMBL5155796

COCCCn1c(-c2cccc(C#N)c2)nc2cnc(NCCc3ccccc3OC)nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 16/20 0.49
CYP3A4 P08684 15/20 0.49
ALDH1A1 P00352 13/20 0.49
USP2 O75604 11/20 0.49
CYP2D6 P10635 9/20 0.49
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
CASP1 P29466 8/20 0.49
CASP7 P55210 7/20 0.49
CLK4 Q9HAZ1 6/20 0.49
TSHR P16473 4/20 0.49
HSD17B10 Q99714 8/20 0.46
CYP2C9 P11712 7/20 0.46
GLA P06280 2/20 0.45
HIF1A Q16665 4/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2C19 P33261 8/20 0.43
MAPK1 P28482 5/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL5336597 0.94 CYP1A2 (0.48) CYP1A2CYP3A4ALDH1A1USP2CYP2D6
SCHEMBL14407605 0.92 CYP1A2 (0.50) CYP1A2CYP3A4ALDH1A1USP2CYP2D6
SCHEMBL5152081 0.92 CYP1A2 (0.50) CYP1A2CYP3A4ALDH1A1USP2CYP2D6
SCHEMBL5154014 0.89 CYP1A2 (0.54) CYP1A2CYP3A4ALDH1A1USP2CYP2D6
SCHEMBL8241134 0.88 CYP1A2 (0.41) CYP1A2CYP3A4ALDH1A1USP2CYP2D6
SCHEMBL5153313 0.86 CYP1A2 (0.49) CYP1A2CYP3A4ALDH1A1USP2CYP2D6
SCHEMBL5175702 0.85 CYP1A2 (0.51) CYP1A2CYP3A4ALDH1A1USP2CYP2D6
SCHEMBL5157324 0.85 CYP1A2 (0.49) CYP1A2CYP3A4ALDH1A1USP2CYP2D6
SCHEMBL5157503 0.83 CYP1A2 (0.52) CYP1A2CYP3A4ALDH1A1USP2CYP2D6
SCHEMBL5153031 0.82 CYP1A2 (0.48) CYP1A2CYP3A4ALDH1A1USP2CYP2D6

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-20070225304-A1 AMINOPURINE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2007-09-27 US disclosed
US-20070225304-A1 AMINOPURINE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2007-09-27 US disclosed
US-20070225304-A1 AMINOPURINE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2007-09-27 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-20070225304-A1 AMINOPURINE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES TPMT, ADORA2A, ENTPD5 CYP1A2 1457/4885CYP3A4 2471/4885ALDH1A1 705/4885

“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.