SCHEMBL5120106

SCHEMBL5120106

CCc1cc2c(NCCc3ccccc3)nc(-c3ccncc3)nc2s1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 8/20 0.73
KDM4E B2RXH2 2/20 0.61
MAPK1 P28482 1/20 0.61
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
PDE5A O76074 4/20 0.51
GBA1 P04062 2/20 0.47
SLC6A3 Q01959 1/20 0.47
ICAM1 P05362 1/20 0.47
SELE P16581 1/20 0.47
VCAM1 P19320 1/20 0.47
PTGS1 P23219 1/20 0.46
TBXAS1 P24557 1/20 0.46
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL5813837 0.94 PRKCI (0.66) PRKCIKDM4EMAPK1ADORA2AADORA1
SCHEMBL5122893 0.89 PRKCI (0.69) PRKCIKDM4EMAPK1ADORA2AADORA1
SCHEMBL5122806 0.89 GBA1 (0.64) PRKCIMAPK1ADORA2AADORA1PDE5A
SCHEMBL5130002 0.87 KDM4E (0.64) PRKCIKDM4EMAPK1ADORA2AADORA1
SCHEMBL8185149 0.87 PRKCI (0.55) PRKCIKDM4EMAPK1PDE5ASLC6A3
SCHEMBL5115723 0.85 METAP1 (0.64) PRKCIKDM4EMAPK1ADORA2AADORA1
SCHEMBL5117543 0.85 KDM4E (0.64) PRKCIKDM4EMAPK1ADORA2AADORA1
SCHEMBL5115396 0.85 ADORA2A (0.55) PRKCIKDM4EMAPK1ADORA2AADORA1
SCHEMBL14986740 0.84 PRKCI (1.00) PRKCI
SCHEMBL5123744 0.84 KDM4E (0.60) PRKCIKDM4EMAPK1ADORA2AADORA1

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-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 PRKCI 1513/4885KDM4E 257/4885MAPK1 899/4885

“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.