SCHEMBL5128327

SCHEMBL5128327

Cc1cc2c(Cl)nc(-c3ccno3)nc2s1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
NOTUM Q6P988 1/20 0.35
FLT3 P36888 3/20 0.34
ADORA2A P29274 7/20 0.34
ADORA1 P30542 6/20 0.34
EPHX2 P34913 1/20 0.33
S1PR1 P21453 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL5123261 0.86 NOTUM (0.37) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL5127958 0.84 SELE (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1ADORA2A
SCHEMBL7516470 0.83 PDE5A (0.39) KDM4EALDH1A1SMN1; SMN2FLT3ADORA2A
SCHEMBL5124885 0.81 NOTUM (0.33) KDM4EALDH1A1GAASMN1; SMN2NOTUM
SCHEMBL31045142 0.80 ADORA2A (0.50) KDM4EALDH1A1ADORA2AADORA1
SCHEMBL7519930 0.78 USP1 (0.43) ALDH1A1SMN1; SMN2MAPT
SCHEMBL31044817 0.78 FLT3 (0.54) KDM4EALDH1A1SMN1; SMN2FLT3ADORA2A
SCHEMBL5118573 0.75 PRKCI (0.41) KDM4EALDH1A1GAASMN1; SMN2RAB9A
SCHEMBL5130856 0.75 USP1 (0.43) GAAFLT3
SCHEMBL5130284 0.75 ALDH1A1 (0.41) KDM4EALDH1A1GAASMN1; SMN2RAB9A

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 KDM4E 257/4885ALDH1A1 1055/4885GAA 3377/4885

“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.