SCHEMBL5118880

SCHEMBL5118880

COc1ccc(CNc2nc(-c3cccnc3)nc3sc(C)cc23)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
PDE5A O76074 6/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
CYP1A2 P05177 6/20 0.48
CYP3A4 P08684 6/20 0.48
CYP2D6 P10635 6/20 0.48
TSHR P16473 6/20 0.48
CYP2C19 P33261 6/20 0.48
CLK4 Q9HAZ1 6/20 0.48
HSD17B10 Q99714 5/20 0.48
USP2 O75604 5/20 0.48
LMNA P02545 5/20 0.48
MAPK1 P28482 5/20 0.48
ALDH1A1 P00352 4/20 0.48
CYP2C9 P11712 2/20 0.48
TP53 P04637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HIF1A Q16665 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL7512073 0.97 MAPT (0.47) MAPTPDE5AMEN1KMT2ACYP1A2
SCHEMBL5124289 0.92 MAPT (0.51) MAPTPDE5AMEN1KMT2ACYP1A2
SCHEMBL5128008 0.92 KMT2A (0.56) MAPTPDE5AMEN1KMT2ACYP1A2
SCHEMBL5814807 0.91 KMT2A (0.51) MAPTPDE5AMEN1KMT2ACYP1A2
SCHEMBL5117281 0.90 CLK4 (0.55) MAPTPDE5AMEN1KMT2ACYP1A2
SCHEMBL5130321 0.90 MAPT (0.49) MAPTPDE5AMEN1KMT2ACYP1A2
SCHEMBL5124549 0.89 PDE5A (0.47) PDE5AMEN1KMT2APOLB
SCHEMBL5120310 0.88 MAPT (0.47) MAPTPDE5AMEN1KMT2ACYP1A2
SCHEMBL5115959 0.87 PDE5A (0.48) MAPTPDE5AMEN1KMT2ACYP1A2
SCHEMBL5117610 0.86 PDE5A (0.42) PDE5A

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 2 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
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 MAPT 2997/4885PDE5A 2002/4885MEN1 696/4885

“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.