SCHEMBL5115552

SCHEMBL5115552

COc1ccc(CNc2nc(-n3ccnc3C)nc3sc(C)c(Cl)c23)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
RAB9A P51151 2/20 0.41
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41
STAT1 P42224 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CHRM4 P08173 1/20 0.40
PDE5A O76074 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 2/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APP P05067 1/20 0.37
BCDIN3D Q7Z5W3 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL5124473 0.94 BCDIN3D (0.43) CHRM4PDE5ABCDIN3D
SCHEMBL5114215 0.91 RAB9A (0.42) TSHRRAB9ATNFNOD1RXFP1
SCHEMBL5117243 0.87 ADORA3 (0.36) RXFP1GAADYRK1ACLK4LMNA
SCHEMBL5122524 0.87 BCDIN3D (0.43) RXFP1CHRM4PDE5AGAALMNA
SCHEMBL5128294 0.85 TNF (0.43) TSHRRAB9ATNFNOD1STAT1
SCHEMBL5122786 0.85 NOS2 (0.47) TSHRRAB9ATNFNOD1STAT1
SCHEMBL5123548 0.84 CHRM4 (0.39) RXFP1CHRM4GAALMNASMN1; SMN2
SCHEMBL5113881 0.84 ESR1 (0.38) RAB9ARXFP1CHRM4PDE5AMAPT
SCHEMBL5124278 0.84 TSHR (0.43) TSHRRAB9ATNFNOD1STAT1
SCHEMBL5120227 0.84 TNF (0.44) RAB9ATNFNOD1STAT1RXFP1

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 7 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-0920431-B1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2003-02-26 EP 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 TSHR 1050/4885RAB9A 3220/4885TNF 2769/4885

“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.