SCHEMBL5122136

SCHEMBL5122136

Cc1csc2nc(-c3ccccn3)nc(NCc3ccccc3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
PDE5A O76074 1/20 0.56
HIF1A Q16665 10/20 0.52
ESR1 P03372 2/20 0.50
TGFBR1 P36897 1/20 0.47
METAP1 P53582 3/20 0.47
METAP2 P50579 2/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HTT P42858 1/20 0.44
JAK2 O60674 1/20 0.44
PPP1CA P62136 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
SCHEMBL5118328 0.92 ESR1 (0.50) NPC1KMT2AMEN1PDE5AHIF1A
SCHEMBL5117852 0.89 METAP1 (0.61) NPC1KMT2AMEN1PDE5AHIF1A
SCHEMBL5118982 0.88 ESR1 (0.47) NPC1KMT2AMEN1PDE5AHIF1A
SCHEMBL5129136 0.87 ESR1 (0.49) NPC1KMT2AMEN1PDE5AHIF1A
SCHEMBL23598886 0.85 ESR1 (0.65) NPC1KMT2AMEN1PDE5AHIF1A
SCHEMBL31337018 0.85 ESR1 (0.65) NPC1KMT2AMEN1PDE5AHIF1A
SCHEMBL5129883 0.85 KDM4E (0.52) NPC1KMT2AMEN1HIF1AESR1
SCHEMBL5129818 0.85 PDE5A (0.47) NPC1KMT2AMEN1PDE5AHIF1A
SCHEMBL5123718 0.84 PDE4A (0.58) KMT2AMEN1PDE5AESR1TGFBR1
SCHEMBL5123277 0.83 HIF1A (0.46) NPC1KMT2AMEN1PDE5AHIF1A

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

“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.