SCHEMBL5115062

SCHEMBL5115062

Cc1sc2nc(-c3ccncc3)nc(NCc3ccc(F)cc3)c2c1Cl

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 14/20 0.53
PTGS2 P35354 2/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CHRM4 P08173 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE5A O76074 1/20 0.42
PTGS1 P23219 1/20 0.42
TBXAS1 P24557 1/20 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
SCHEMBL5124247 0.90 PRKCI (0.57) PRKCIPTGS2ADORA2AADORA1PDE5A
SCHEMBL5117192 0.89 PRKCI (0.67) PRKCIPTGS2ADORA2AADORA1LMNA
SCHEMBL5125957 0.88 POLB (0.56) PTGS2LMNAALDH1A1MEN1MAPT
SCHEMBL5129890 0.87 PRKCI (0.51) PRKCIADORA2AADORA1
SCHEMBL8186471 0.85 PTGS2 (0.47) PTGS2LMNAKDM4EALDH1A1CHRM4
SCHEMBL7171714 0.84 POLB (0.54) PTGS2LMNAALDH1A1MEN1MAPT
SCHEMBL5123345 0.84 ESR1 (0.51) PTGS2KDM4EALDH1A1CHRM4MEN1
SCHEMBL5121979 0.84 MEN1 (0.49) PRKCICHRM4MEN1KMT2A
SCHEMBL5809171 0.84 PRKCI (0.48) PRKCIADORA2AADORA1
SCHEMBL8185543 0.84 KDM4E (0.47) PTGS2LMNAKDM4EALDH1A1MEN1

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 7 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
EP-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 PRKCI 1513/4885PTGS2 931/4885ADORA2A 1406/4885

“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.