SCHEMBL5127731

SCHEMBL5127731

Cc1sc2nc(-c3ccccn3)nc(NCc3ccccc3)c2c1C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
KMT2A Q03164 1/20 0.57
PDE5A O76074 1/20 0.56
HIF1A Q16665 8/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
PRKCI P41743 3/20 0.47
METAP2 P50579 2/20 0.47
METAP1 P53582 2/20 0.47

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
SCHEMBL5122734 0.92 MEN1 (0.48) MEN1NPC1KMT2APDE5AHIF1A
SCHEMBL5123688 0.89 METAP1 (0.61) MEN1NPC1KMT2AHIF1ASMN1; SMN2
SCHEMBL5122140 0.89 MEN1 (0.55) MEN1NPC1KMT2APDE5AHIF1A
SCHEMBL5113873 0.88 SMN1; SMN2 (0.54) MEN1NPC1KMT2APDE5ASMN1; SMN2
SCHEMBL5119994 0.87 HIF1A (0.45) MEN1NPC1KMT2APDE5AHIF1A
SCHEMBL5130956 0.85 POLB (0.48) MEN1NPC1KMT2AHIF1AKDM4E
SCHEMBL5127431 0.85 PDE5A (0.47) MEN1NPC1KMT2APDE5AHIF1A
SCHEMBL23991504 0.84 METAP2 (0.56) MEN1NPC1KMT2ASMN1; SMN2KDM4E
SCHEMBL5128968 0.83 ALDH1A1 (0.44) MEN1KMT2APDE5AHIF1ASMN1; SMN2
SCHEMBL5118041 0.83 ALDH1A1 (0.48) MEN1NPC1KMT2APDE5AHIF1A

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 MEN1 696/4885NPC1 4863/4885KMT2A 388/4885

“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.