SCHEMBL5523539

SCHEMBL5523539

Cc1cc(CN2CCn3ccc(=O)c(O)c3C2=O)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 2/20 0.39
MAPK1 P28482 2/20 0.39
KCNH2 Q12809 1/20 0.39
ROCK2 O75116 1/20 0.36
AKR1B1 P15121 1/20 0.36
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
GPR183 P32249 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
P2RX7 Q99572 3/20 0.36
DAO P14920 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.34
WDR5 P61964 1/20 0.33

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
SCHEMBL4323289 0.86 ERCC1 (0.41) AKR1B1ERCC1ERCC4P2RX7DAO
SCHEMBL4320213 0.84 ERCC1 (0.39) AKR1B1ERCC1ERCC4
SCHEMBL4153042 0.83 RAB9A (0.46) KCNH2AKR1B1LMNATP53
SCHEMBL4320121 0.81 ERCC1 (0.48) KCNH2ERCC1ERCC4EGLN1P2RX7
SCHEMBL4330995 0.81 ERCC1 (0.42) KCNH2AKR1B1ERCC1ERCC4P2RX7
SCHEMBL13892419 0.81 ERCC1 (0.38) KCNH2AKR1B1ERCC1ERCC4P2RX7
SCHEMBL4318984 0.80 P2RX7 (0.49) MAPK3MAPK1KCNH2ERCC1ERCC4
SCHEMBL14129745 0.80 DRD3 (0.43) KCNH2ERCC1ERCC4TP53
SCHEMBL4315216 0.79 CYP2D6 (0.47) MAPK1KCNH2EGLN1LMNATP53
Hydrochloric Acid SCHEMBL4321399 0.79 DRD3 (0.42) KCNH2ERCC1ERCC4LMNATP53

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-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 US claimed
US-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 US disclosed
US-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 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-20070161639-A1 Hiv integrase inhibitors DPYD, DUT, TYMP MAPK3 1758/4885MAPK1 1569/4885KCNH2 666/4885
US-20090099168-A1 HIV Integrase inhibitors DPYD, DUT, QDPR MAPK3 1570/4885MAPK1 1269/4885KCNH2 722/4885

“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.