SCHEMBL5129098

SCHEMBL5129098

COc1ccc(CNc2nc(-c3cccnc3)nc3sc(C)c(Cl)c23)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 6/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 4/20 0.44
CYP3A4 P08684 4/20 0.44
CYP2D6 P10635 4/20 0.44
CYP2C19 P33261 4/20 0.44
CYP2C9 P11712 3/20 0.44
USP2 O75604 3/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPK1 P28482 3/20 0.44
CLK4 Q9HAZ1 2/20 0.44

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
SCHEMBL7172866 0.97 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL5127640 0.94 PDE5A (0.46) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL5130058 0.91 KMT2A (0.50) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL7170341 0.91 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL7174986 0.90 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL5121979 0.89 MEN1 (0.49) KMT2AMEN1TSHR
SCHEMBL5123238 0.87 CLK4 (0.54) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL5130031 0.87 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL5813871 0.86 MEN1 (0.46) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL5123241 0.86 CHRM4 (0.42) SMN1; SMN2KMT2AMEN1MAPTPOLB

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 4 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-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 ALDH1A1 1055/4885SMN1; SMN2 3222/4885HPGD 1381/4885

“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.