SCHEMBL5129882

SCHEMBL5129882

Cc1csc2nc(-c3ccncc3)nc(NCc3ccc(F)cc3)c12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.54
PRKCI P41743 13/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
TGFBR1 P36897 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PTGS2 P35354 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE5A O76074 1/20 0.44
PTGS1 P23219 1/20 0.44
TBXAS1 P24557 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
SCHEMBL5123718 0.89 PDE4A (0.58) ESR1PRKCIADORA2AADORA1TGFBR1
SCHEMBL5116120 0.88 POLB (0.58) ESR1PDE4APDE4BPDE4CPDE4D
SCHEMBL8170405 0.86 ESR1 (0.52) ESR1PTGS2MEN1LMNAMAPT
SCHEMBL5120732 0.84 ESR1 (0.53) ESR1PRKCIADORA2AADORA1TGFBR1
SCHEMBL8176965 0.84 ESR1 (0.50) ESR1PTGS2MEN1LMNAMAPT
SCHEMBL5122443 0.84 ESR1 (0.49) ESR1TGFBR1MAPTPDE5A
SCHEMBL5117945 0.83 ESR1 (0.51) ESR1TGFBR1PTGS2MEN1LMNA
SCHEMBL5119865 0.83 MEN1 (0.52) ESR1PRKCITGFBR1MEN1MAPT
SCHEMBL5117192 0.83 PRKCI (0.67) PRKCIADORA2AADORA1PTGS2LMNA
SCHEMBL5118328 0.82 ESR1 (0.50) ESR1TGFBR1MEN1KMT2APDE5A

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 4 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
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

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 ESR1 2256/4885PRKCI 1513/4885ADORA2A 1406/4885

“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.