SCHEMBL5124435

SCHEMBL5124435

Cc1sc2nc(-n3cccn3)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 9/20 0.41
TSHR P16473 6/20 0.41
NPSR1 Q6W5P4 5/20 0.41
HPGD P15428 4/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
PPP1CA P62136 1/20 0.41
MAPT P10636 8/20 0.40
KDM4E B2RXH2 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 3/20 0.40
CREBBP Q92793 1/20 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
SCHEMBL5127800 0.95 CHRM4 (0.42) CHRM4ALDH1A1TSHRNPSR1HPGD
SCHEMBL5128977 0.92 BCDIN3D (0.40) CHRM4ALDH1A1NPSR1HPGDMAPT
SCHEMBL5129318 0.91 ALDH1A1 (0.42) CHRM4ALDH1A1TSHRNPSR1HPGD
SCHEMBL5128280 0.86 CHRM4 (0.41) CHRM4ALDH1A1TSHRNPSR1HPGD
SCHEMBL5128714 0.86 ALDH1A1 (0.47) CHRM4ALDH1A1TSHRNPSR1HPGD
SCHEMBL5116164 0.86 ADORA2A (0.35) CHRM4ALDH1A1KDM4EGAALMNA
SCHEMBL5128272 0.85 NOS2 (0.51)
SCHEMBL5115005 0.84 CHRM4 (0.41) CHRM4ALDH1A1TSHRNPSR1HPGD
SCHEMBL5129101 0.84 ALDH1A1 (0.46) ALDH1A1TSHRNPSR1HPGDUSP2
SCHEMBL5123262 0.84 CHRM4 (0.40) CHRM4ALDH1A1NPSR1HPGDMAPT

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 8 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
CN-1875023-A Use of thienopyrimidines MERCK PATENT GMBH (DE) 2006-12-06 CN 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.