SCHEMBL5123548

SCHEMBL5123548

Cc1sc2nc(-n3ccnc3C)nc(NCc3ccc(F)cc3)c2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.39
NR3C2 P08235 3/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
CYP1A1 P04798 1/20 0.35
ESR1 P03372 1/20 0.34
PTGS2 P35354 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5123715 0.90 GAA (0.46) CHRM4NR3C2KDM4EALDH1A1CYP1A2
SCHEMBL5113881 0.90 ESR1 (0.38) CHRM4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5117243 0.87 ADORA3 (0.36) KDM4EALDH1A1GAARXFP1LMNA
SCHEMBL5115552 0.84 TSHR (0.43) CHRM4SMN1; SMN2GAARXFP1LMNA
SCHEMBL5124473 0.83 BCDIN3D (0.43) CHRM4
SCHEMBL5129416 0.83 PDE5A (0.45) CHRM4KDM4EALDH1A1LMNAPTGS2
SCHEMBL5123262 0.83 CHRM4 (0.40) CHRM4KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL5115005 0.83 CHRM4 (0.41) CHRM4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5119537 0.83 CHRM4 (0.42) CHRM4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5123800 0.82 HRH4 (0.41) CHRM4NR3C2LMNAHRH4KMT2A

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-0920431-B1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2003-02-26 EP 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
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 CHRM4 4573/4885NR3C2 3741/4885KDM4E 257/4885

“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.