SCHEMBL5128775

SCHEMBL5128775

Cc1sc2nc(-c3ccncc3)nc(NCc3ccc4c(c3)OCO4)c2c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PRKCI P41743 7/20 0.46
CHRM4 P08173 1/20 0.43
FYN P06241 1/20 0.43
HSD17B10 Q99714 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 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
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
AURKA O14965 1/20 0.41
FLT1 P17948 2/20 0.41

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
SCHEMBL7513678 0.96 MAPT (0.44) MAPTNPSR1PRKCICHRM4FYN
SCHEMBL5115928 0.94 PRKCI (0.46) MAPTNPSR1PRKCICHRM4ALDH1A1
SCHEMBL5815092 0.91 PRKCI (0.43) MAPTNPSR1PRKCICHRM4ALDH1A1
SCHEMBL5124992 0.91 PRKCI (0.49) PRKCI
SCHEMBL5123656 0.91 PRKCI (0.58) MAPTNPSR1PRKCIFYNHSD17B10
SCHEMBL5119382 0.89 MAPT (0.61) MAPTNPSR1CHRM4HSD17B10LMNA
SCHEMBL5809738 0.88 PRKCI (0.46) PRKCI
SCHEMBL8171936 0.88 PDE5A (0.48) MAPTNPSR1CHRM4HSD17B10LMNA
SCHEMBL7175091 0.86 MAPT (0.58) MAPTNPSR1CHRM4HSD17B10LMNA
SCHEMBL8187418 0.86 ALDH1A1 (0.48) MAPTCHRM4HSD17B10LMNAALDH1A1

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 4 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-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 MAPT 2997/4885NPSR1 3053/4885PRKCI 1513/4885

“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.