SCHEMBL5115007

SCHEMBL5115007

Cc1nccn1-c1nc(NCc2ccccc2)c2cc(Cl)sc2n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.43
EGFR P00533 1/20 0.42
TBXAS1 P24557 3/20 0.40
PDE3B Q13370 3/20 0.40
PDE3A Q14432 3/20 0.40
HRH4 Q9H3N8 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
VCAM1 P19320 1/20 0.40
HTR3A P46098 1/20 0.40
APP P05067 1/20 0.39
VCP P55072 1/20 0.37

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
SCHEMBL5123800 0.90 HRH4 (0.41) HRH4APP
SCHEMBL7609413 0.90 EGFR (0.43) PDE5AEGFRTBXAS1PDE3BPDE3A
SCHEMBL5129989 0.88 ADORA3 (0.36)
SCHEMBL5123780 0.87 ICAM1 (0.57) PDE5AEGFRTBXAS1PDE3BPDE3A
SCHEMBL5118528 0.86 PDE5A (0.43) PDE5AEGFRPDE3BPDE3A
SCHEMBL5115394 0.85 ICAM1 (0.41) PDE5AEGFRTBXAS1PDE3BPDE3A
SCHEMBL5128294 0.85 TNF (0.43) PDE5AAPP
SCHEMBL5128407 0.84 BCDIN3D (0.42) PDE5A
SCHEMBL5124878 0.84 PDE5A (0.45) PDE5AEGFRTBXAS1PDE3BPDE3A
SCHEMBL5123708 0.83 PDE5A (0.43) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
EP-1441734-B1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2007-02-28 EP 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 (2 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 2002/4885EGFR 912/4885TBXAS1 70/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP PDE5A 1282/4885EGFR 4294/4885TBXAS1 1487/4885

“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.