SCHEMBL5114215

SCHEMBL5114215

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
PDE5A O76074 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APP P05067 1/20 0.38
CHRM4 P08173 1/20 0.38

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
SCHEMBL5122524 0.92 BCDIN3D (0.43) RXFP1GAAALDH1A1KDM4ELMNA
SCHEMBL5115552 0.91 TSHR (0.43) RAB9ATNFNOD1RXFP1GAA
SCHEMBL5120227 0.85 TNF (0.44) RAB9ATNFNOD1RXFP1GAA
SCHEMBL5781127 0.85 MAPT (0.48) GAAALDH1A1KDM4ELMNAMAPT
SCHEMBL5118731 0.85 GAA (0.42) RAB9ARXFP1GAAALDH1A1KDM4E
SCHEMBL5124473 0.85 BCDIN3D (0.43) PDE5ACHRM4
SCHEMBL5117009 0.84 RAB9A (0.48) RAB9ATNFNOD1RXFP1BCHE
SCHEMBL5119028 0.84 NOS2 (0.48) RAB9ATNFNOD1RXFP1GAA
SCHEMBL5123715 0.84 GAA (0.46) RAB9ARXFP1GAAALDH1A1KDM4E
SCHEMBL5116457 0.83 ALDH1A1 (0.47) RAB9ARXFP1GAAALDH1A1KDM4E

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 5 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

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 RAB9A 3220/4885TNF 2769/4885NOD1 1451/4885

“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.