SCHEMBL5123345

SCHEMBL5123345

Cc1sc2nc(Cl)nc(NCc3ccc(F)cc3)c2c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.51
CHRM4 P08173 1/20 0.47
GAA P10253 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.39
CYP1A1 P04798 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7170030 0.95 ESR1 (0.47) ESR1CHRM4GAARXFP1SMN1; SMN2
SCHEMBL5129084 0.90 GAA (0.54) ESR1CHRM4GAARXFP1SMN1; SMN2
SCHEMBL5122868 0.87 ESR1 (0.57) ESR1CHRM4GAARXFP1
SCHEMBL7167188 0.86 GAA (0.50) ESR1CHRM4GAARXFP1SMN1; SMN2
SCHEMBL5778593 0.84 CHRM4 (0.43) ESR1CHRM4GAARXFP1SMN1; SMN2
SCHEMBL5121986 0.84 ESR1 (0.47) ESR1CHRM4GAARXFP1SMN1; SMN2
SCHEMBL5115062 0.84 PRKCI (0.53) CHRM4KDM4EALDH1A1PTGS2KMT2A
SCHEMBL5776821 0.83 CHRM4 (0.44) ESR1CHRM4GAARXFP1SMN1; SMN2
SCHEMBL5126310 0.82 CHRM4 (0.41) ESR1CHRM4GAARXFP1SMN1; SMN2
SCHEMBL5129063 0.81 MEN1 (0.47) KMT2AMEN1

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 11 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
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 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-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
US-5948911-A Method for inhibiting neoplastic cells and related conditions by exposure to thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 1999-09-07 US disclosed
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 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 ESR1 2256/4885CHRM4 4573/4885GAA 3377/4885

“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.