SCHEMBL5130160

SCHEMBL5130160

Cc1sc2nc(-c3ccno3)nc(NCCc3ccc4c(c3)OCO4)c2c1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
FAAH O00519 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
BCDIN3D Q7Z5W3 1/20 0.38
FLT1 P17948 2/20 0.38
KDR P35968 2/20 0.38
PDE5A O76074 1/20 0.38
CNR2 P34972 1/20 0.38
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
RAD52 P43351 1/20 0.37
GALR3 O60755 1/20 0.36
NR2F2 P24468 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
SCHEMBL7618190 0.95 ALDH1A1 (0.47) PRKCISMN1; SMN2LMNAHTTALDH1A1
SCHEMBL5119049 0.91 PDE5A (0.39) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL5115505 0.91 ALDH1A1 (0.42) PRKCISMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL5816198 0.88 FAAH (0.38) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL7611849 0.86 MAPT (0.38) PRKCISMN1; SMN2LMNAHTTALDH1A1
SCHEMBL5118575 0.86 FAAH (0.39) HTTALDH1A1MAPTFAAHADORA2A
SCHEMBL5115294 0.85 PRKCI (0.61) PRKCISMN1; SMN2LMNAHTTALDH1A1
SCHEMBL5128684 0.85 ALDH1A1 (0.48) PRKCISMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL5129031 0.85 BCDIN3D (0.42) MAPTFAAHADORA2AADORA1BCDIN3D
SCHEMBL5802431 0.84 PRKCI (0.47) PRKCISMN1; SMN2HTTALDH1A1

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 1513/4885SMN1; SMN2 3222/4885LMNA 3799/4885

“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.