SCHEMBL5123014

SCHEMBL5123014

Cc1sc2nc(-c3ccncc3)nc(NCc3ccc4c(c3)OCCO4)c2c1C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 11/20 0.58
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
CHRM4 P08173 2/20 0.46
POLB P06746 1/20 0.44
RAD52 P43351 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5123656 0.94 PRKCI (0.58) PRKCIALDH1A1MAPTKDM4ELMNA
SCHEMBL5115928 0.91 PRKCI (0.46) PRKCIALDH1A1MAPTCHRM4GAA
SCHEMBL7622344 0.91 PRKCI (0.61) PRKCIALDH1A1MAPTLMNAPOLB
SCHEMBL5116088 0.89 MAPT (0.56) PRKCIALDH1A1MAPTKDM4ELMNA
SCHEMBL5815092 0.87 PRKCI (0.43) PRKCIALDH1A1MAPTCHRM4GAA
SCHEMBL5121141 0.85 ESR1 (0.44) PRKCIALDH1A1MAPTLMNACHRM4
SCHEMBL5114901 0.85 ALDH1A1 (0.47) PRKCIALDH1A1MAPTKDM4ELMNA
SCHEMBL5128684 0.85 ALDH1A1 (0.48) PRKCIALDH1A1MAPTKDM4ELMNA
SCHEMBL5128775 0.85 MAPT (0.47) PRKCIALDH1A1MAPTKDM4ELMNA
SCHEMBL5115294 0.85 PRKCI (0.61) PRKCIALDH1A1MAPTLMNASMN1; SMN2

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-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
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 PRKCI 1513/4885ALDH1A1 1055/4885MAPT 2997/4885

“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.