SCHEMBL5128545

SCHEMBL5128545

Cc1sc2nc(-n3cncn3)nc(NCc3ccc(Cl)c(Cl)c3)c2c1Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CTSL P07711 9/20 0.35
GAA P10253 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CDK1 P06493 1/20 0.34
CHRM4 P08173 1/20 0.33
CTSB P07858 1/20 0.33
TGFBR1 P36897 1/20 0.33
BCDIN3D Q7Z5W3 1/20 0.33

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
SCHEMBL5115157 0.92 ADORA2A (0.42) PDE10AADORA2AADORA1CTSLGAA
SCHEMBL5122317 0.90 BCDIN3D (0.43) CHRM4BCDIN3D
SCHEMBL5120030 0.87 CHRM4 (0.42) PDE10ARXFP1KDM4EALDH1A1LMNA
SCHEMBL5130532 0.87 CHRM4 (0.39) PDE10AADORA2AADORA1GAARXFP1
SCHEMBL5124544 0.87 PDE5A (0.39) PDE10AADORA2AADORA1GAAKDM4E
SCHEMBL5119295 0.87 TSHR (0.43) GAALMNACHRM4BCDIN3D
SCHEMBL5128280 0.86 CHRM4 (0.41) RXFP1KDM4EALDH1A1LMNACHRM4
SCHEMBL5116164 0.85 ADORA2A (0.35) ADORA2ACTSLGAARXFP1KDM4E
SCHEMBL5122240 0.85 ESR1 (0.48) PDE10ACTSLGAACDK1BCDIN3D
SCHEMBL5123483 0.84 PDE10A (0.37) PDE10ACTSLGAACDK1CTSB

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 6 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-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 PDE10A 3363/4885ADORA2A 1406/4885ADORA1 1249/4885

“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.