SCHEMBL5122271

SCHEMBL5122271

COc1ccc(CNc2nc(-c3ccncc3)nc3sc(C(F)(F)F)cc23)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PRKCI P41743 5/20 0.43
BCDIN3D Q7Z5W3 2/20 0.42
PDE6D O43924 1/20 0.40
PDE6A P16499 1/20 0.40
PDE6G P18545 1/20 0.40
PDE6B P35913 1/20 0.40
PDE6C P51160 1/20 0.40
PDE6H Q13956 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL5118831 0.92 MEN1 (0.53) MEN1KMT2APRKCIABCB1ABCG2
SCHEMBL5120310 0.90 MAPT (0.47) PDE5AMEN1KMT2ABCDIN3D
SCHEMBL5129584 0.89 USP1 (0.49) PDE5APRKCI
SCHEMBL8183034 0.88 PDE5A (0.45) PDE5AMEN1KMT2ABCDIN3DPDE6D
SCHEMBL8183537 0.88 PDE5A (0.45) PDE5AMEN1KMT2ABCDIN3DPDE6D
SCHEMBL5125325 0.88 PDE5A (0.48) PDE5AMEN1KMT2APRKCIBCDIN3D
SCHEMBL5118618 0.87 PRKCI (0.59) PDE5AMEN1KMT2APRKCIBCDIN3D
SCHEMBL5124549 0.87 PDE5A (0.47) PDE5AMEN1KMT2APRKCIBCDIN3D
SCHEMBL5115283 0.86 PDE5A (0.45) PDE5ABCDIN3DPDE6DPDE6APDE6G
SCHEMBL5118832 0.86 PDE5A (0.46) PDE5ABCDIN3DPDE6DPDE6APDE6G

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 PDE5A 2002/4885MEN1 696/4885KMT2A 388/4885

“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.