SCHEMBL5128280

SCHEMBL5128280

Cc1sc2nc(-n3cncn3)nc(NCc3ccc4c(c3)OCO4)c2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.41
ALDH1A1 P00352 5/20 0.41
TSHR P16473 4/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
PPP1CA P62136 1/20 0.41
PDE5A O76074 8/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL5120030 0.95 CHRM4 (0.42) CHRM4ALDH1A1TSHRHPGDNPSR1
SCHEMBL5124141 0.92 BCDIN3D (0.41) CHRM4ALDH1A1TSHRHPGDNPSR1
SCHEMBL5125462 0.91 ALDH1A1 (0.42) CHRM4ALDH1A1TSHRHPGDNPSR1
SCHEMBL5124435 0.86 CHRM4 (0.41) CHRM4ALDH1A1TSHRHPGDNPSR1
SCHEMBL5117638 0.86 ALDH1A1 (0.47) CHRM4ALDH1A1TSHRHPGDNPSR1
SCHEMBL5128545 0.86 PDE10A (0.36) CHRM4ALDH1A1KDM4ERXFP1LMNA
SCHEMBL5128272 0.85 NOS2 (0.51)
SCHEMBL5121170 0.84 TSHR (0.44) ALDH1A1TSHRHPGDNPSR1USP2
SCHEMBL5122850 0.84 PDE5A (0.45) ALDH1A1TSHRHPGDNPSR1USP2
SCHEMBL5116188 0.84 PDE5A (0.45) ALDH1A1TSHRHPGDNPSR1USP2

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
EP-0920431-B1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2003-02-26 EP 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 4573/4885ALDH1A1 1055/4885TSHR 1050/4885

“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.