SCHEMBL5127935

SCHEMBL5127935

Cc1csc2nc(-c3ccncc3)nc(Cl)c12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 11/20 0.51
NPC1 O15118 5/20 0.49
HPGD P15428 4/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
TGFBR1 P36897 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL5124382 0.84 KDM4E (0.70) NPC1HPGDALDH1A1LMNAKDM4E
SCHEMBL14975001 0.83 PRKCI (0.52) PRKCINPC1KDM4ETGFBR1SMN1; SMN2
SCHEMBL8339222 0.81 KDM4E (0.46) NPC1HPGDALDH1A1LMNAKDM4E
SCHEMBL5812341 0.80 KDM4E (0.53) PRKCINPC1HPGDALDH1A1LMNA
SCHEMBL8170042 0.78 MAPT (0.43) NPC1HPGDALDH1A1LMNAKDM4E
SCHEMBL23579792 0.78 MAPT (0.78) PRKCINPC1HPGDALDH1A1LMNA
SCHEMBL5119506 0.77 PRKCI (0.57) PRKCINPC1HPGDALDH1A1LMNA
SCHEMBL5124102 0.77 ALDH1A1 (0.52) PRKCINPC1HPGDALDH1A1LMNA
SCHEMBL5129938 0.77 NPC1 (0.45) PRKCINPC1HPGDALDH1A1LMNA
SCHEMBL5121836 0.77 NPC1 (0.68) NPC1HPGDALDH1A1LMNAKDM4E

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 PRKCI 1513/4885NPC1 4863/4885HPGD 1381/4885

“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.