SCHEMBL5124382

SCHEMBL5124382

Cc1csc2nc(-c3cccnc3)nc(Cl)c12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.70
HPGD P15428 4/20 0.70
NPC1 O15118 4/20 0.70
ALDH1A1 P00352 3/20 0.70
MAPT P10636 3/20 0.70
LMNA P02545 2/20 0.70
SMN1; SMN2 Q16637 4/20 0.60
POLB P06746 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 1/20 0.46
CYP2A6 P11509 4/20 0.44
CYP2E1 P05181 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2B6 P20813 3/20 0.44
RAB9A P51151 3/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL7514873 0.84 ALDH1A1 (0.58) KDM4EHPGDNPC1ALDH1A1MAPT
SCHEMBL5127935 0.84 PRKCI (0.51) KDM4EHPGDNPC1ALDH1A1MAPT
SCHEMBL7515376 0.83 ALDH1A1 (0.56) KDM4EHPGDNPC1ALDH1A1MAPT
SCHEMBL5809020 0.79 ALDH1A1 (0.61) KDM4EHPGDNPC1ALDH1A1MAPT
SCHEMBL5124093 0.78 ALDH1A1 (0.75) KDM4EHPGDNPC1ALDH1A1MAPT
SCHEMBL5129672 0.78 ALDH1A1 (0.75) KDM4EHPGDNPC1ALDH1A1MAPT
SCHEMBL7516802 0.78 ALDH1A1 (0.56) KDM4EHPGDNPC1ALDH1A1MAPT
SCHEMBL7517415 0.77 MAPT (0.58) KDM4EHPGDNPC1ALDH1A1MAPT
SCHEMBL7016922 0.77 ALDH1A1 (0.62) KDM4EHPGDNPC1ALDH1A1MAPT
SCHEMBL5129938 0.77 NPC1 (0.45) KDM4EHPGDNPC1ALDH1A1MAPT

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
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-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US 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 KDM4E 257/4885HPGD 1381/4885NPC1 4863/4885

“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.