SCHEMBL5129494

SCHEMBL5129494

COc1ccc(CNc2nc(Cl)nc3sc(C)c(C)c23)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.47
GAA P10253 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CHRM4 P08173 1/20 0.46
TSHR P16473 1/20 0.46
TNF P01375 1/20 0.46
NOD1 Q9Y239 1/20 0.46
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
STAT1 P42224 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
APP P05067 3/20 0.44
POLB P06746 1/20 0.44
PDE5A O76074 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7173306 0.96 ESR1 (0.44) ESR1GAARXFP1CHRM4TSHR
SCHEMBL5130592 0.92 BCDIN3D (0.48) ESR1GAARXFP1CHRM4PDE5A
SCHEMBL5131031 0.91 TSHR (0.48) ESR1GAACHRM4TSHRTNF
SCHEMBL7171683 0.89 PDE5A (0.46) ESR1GAARXFP1CHRM4PDE5A
SCHEMBL7176322 0.87 TSHR (0.45) ESR1GAACHRM4TSHRTNF
SCHEMBL5128673 0.84 GAA (0.50) ESR1GAARXFP1LMNASMN1; SMN2
SCHEMBL5118517 0.83 BCDIN3D (0.48) ESR1CHRM4PDE5A
SCHEMBL5123492 0.82 ESR1 (0.67) ESR1GAATSHRTNFNOD1
SCHEMBL5121900 0.82 PRKCI (0.60) GAARXFP1TNFNOD1BCHE
SCHEMBL7407521 0.81 MAPT (0.54) ESR1GAATSHRTNFNOD1

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 10 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
CN-1875023-A Use of thienopyrimidines MERCK PATENT GMBH (DE) 2006-12-06 CN disclosed
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
CN-1081638-C Thienopyrimidine compounds MERCK PATENT GMBH (DE) 2002-03-27 CN 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-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
US-5948911-A Method for inhibiting neoplastic cells and related conditions by exposure to thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 1999-09-07 US disclosed
CN-1227560-A Thienopyrimidines MERCK PATENT GMBH (DE) 1999-09-01 CN 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 2256/4885GAA 3377/4885RXFP1 1200/4885

“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.