SCHEMBL5126310

SCHEMBL5126310

Cc1sc2nc(-c3ccno3)nc(NCc3ccc(F)cc3)c2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.41
GAA P10253 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC26A6 Q9BXS9 2/20 0.38
PTGS2 P35354 1/20 0.37
LMNA P02545 2/20 0.36
ESR1 P03372 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 4/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL5126030 0.92 PRKCI (0.38) CHRM4GAARXFP1KDM4EALDH1A1
SCHEMBL5127893 0.89 GAA (0.48) CHRM4GAARXFP1KDM4EALDH1A1
SCHEMBL5128249 0.89 USP1 (0.36) CHRM4GAARXFP1KDM4EALDH1A1
SCHEMBL5116928 0.86 CHRM4 (0.42) CHRM4GAASMN1; SMN2LMNAKMT2A
SCHEMBL7516123 0.86 USP1 (0.34) CHRM4GAARXFP1KDM4EALDH1A1
SCHEMBL5125502 0.85 CHRM4 (0.42) CHRM4ALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL5128434 0.85 BCDIN3D (0.42) CHRM4
SCHEMBL5124136 0.85 CHRM4 (0.42) CHRM4ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL5115062 0.83 PRKCI (0.53) CHRM4KDM4EALDH1A1PTGS2LMNA
SCHEMBL5812974 0.83 CHRM4 (0.40) CHRM4GAASMN1; SMN2LMNAKMT2A

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 5 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

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 4573/4885GAA 3377/4885RXFP1 1200/4885

“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.