SCHEMBL5117565

SCHEMBL5117565

Clc1cc2c(NCCc3ccc4c(c3)OCO4)nc(-c3ccncc3)nc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 6/20 0.48
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 4/20 0.43
KDM4E B2RXH2 3/20 0.43
BCDIN3D Q7Z5W3 1/20 0.41
PDE5A O76074 1/20 0.41
HSD17B10 Q99714 5/20 0.39
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2D6 P10635 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP2C9 P11712 3/20 0.39
CNR2 P34972 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL7613329 0.94 PRKCI (0.48) PRKCIMAPTNPSR1MAPK1KDM4E
SCHEMBL5130013 0.90 MAPT (0.53) PRKCIMAPTNPSR1MAPK1KDM4E
SCHEMBL5125323 0.89 MAPT (0.57) MAPTNPSR1KDM4EBCDIN3DPDE5A
SCHEMBL5128167 0.89 PRKCI (0.50) PRKCIMAPTNPSR1MAPK1KDM4E
SCHEMBL5123545 0.88 PRKCI (0.64) PRKCIMAPTNPSR1MAPK1KDM4E
SCHEMBL8179119 0.87 ALDH1A1 (0.45) MAPK1BCDIN3DPDE5AHSD17B10CYP1A2
SCHEMBL7519905 0.87 PRKCI (0.58) PRKCIMAPTNPSR1MAPK1KDM4E
SCHEMBL5120472 0.86 PRKCI (0.48) PRKCIMAPTNPSR1MAPK1KDM4E
SCHEMBL7514104 0.86 MAPT (0.54) MAPTNPSR1KDM4EBCDIN3DPDE5A
SCHEMBL5122882 0.85 BCDIN3D (0.41) PRKCIMAPTNPSR1KDM4EBCDIN3D

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 PRKCI 1513/4885MAPT 2997/4885NPSR1 3053/4885

“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.