SCHEMBL5116097

SCHEMBL5116097

Clc1cc2c(NCc3ccccc3)nc(-c3ccccn3)nc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
NPC1 O15118 1/20 0.63
PDE5A O76074 1/20 0.62
HIF1A Q16665 10/20 0.52
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
METAP1 P53582 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
PPP1CA P62136 2/20 0.49
JAK2 O60674 1/20 0.49
METAP2 P50579 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
ICAM1 P05362 1/20 0.44
SELE P16581 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
SCHEMBL5121113 0.92 KMT2A (0.54) KMT2AMEN1NPC1PDE5AHIF1A
SCHEMBL5128983 0.89 KMT2A (0.50) KMT2AMEN1NPC1PDE5AHIF1A
SCHEMBL5128041 0.89 METAP1 (0.65) KMT2AMEN1NPC1PDE5AHIF1A
SCHEMBL5128893 0.88 ADORA2A (0.53) KMT2AMEN1NPC1PDE5AADORA2A
SCHEMBL5122691 0.86 KMT2A (0.63) KMT2AMEN1NPC1PDE5AHIF1A
SCHEMBL5122213 0.85 ICAM1 (0.63) KMT2AMEN1NPC1PDE5AHIF1A
SCHEMBL5116047 0.85 PDE5A (0.52) KMT2AMEN1NPC1PDE5AHIF1A
SCHEMBL5129885 0.85 MEN1 (0.51) KMT2AMEN1NPC1PDE5AHIF1A
SCHEMBL5128120 0.84 MEN1 (0.45) KMT2AMEN1NPC1PDE5AHIF1A
SCHEMBL5116032 0.84 USP1 (0.50) KMT2AMEN1NPC1PDE5AHIF1A

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 KMT2A 388/4885MEN1 696/4885NPC1 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.