SCHEMBL5117192

SCHEMBL5117192

Cc1sc2nc(-c3ccncc3)nc(NCc3ccc(F)cc3)c2c1C

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 12/20 0.67
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
FLT3 P36888 1/20 0.49
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
PTGS2 P35354 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL5119678 0.90 PRKCI (0.68) PRKCIKDM4EALDH1A1LMNAGAA
SCHEMBL5115062 0.89 PRKCI (0.53) PRKCIKDM4EALDH1A1LMNAADORA2A
SCHEMBL5128741 0.87 POLB (0.58) PRKCIALDH1A1LMNAGAARXFP1
SCHEMBL5121254 0.85 PRKCI (0.62) PRKCIKDM4EALDH1A1LMNAGAA
SCHEMBL8184718 0.85 FLT3 (0.51) PRKCIKDM4EALDH1A1LMNAGAA
SCHEMBL8169989 0.83 KDM4E (0.53) PRKCIKDM4EALDH1A1LMNAGAA
SCHEMBL5121900 0.83 PRKCI (0.60) PRKCIKDM4EALDH1A1LMNAGAA
SCHEMBL5129882 0.83 ESR1 (0.54) PRKCILMNAADORA2AADORA1PTGS2
SCHEMBL5114966 0.83 SMN1; SMN2 (0.48) PRKCIKDM4EALDH1A1LMNAGAA
SCHEMBL5127893 0.82 GAA (0.48) PRKCIKDM4EALDH1A1LMNAGAA

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 257/4885ALDH1A1 1055/4885

“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.