SCHEMBL15840331

SCHEMBL15840331

Cc1nc2ccc(F)c(F)c2c(=O)n1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PARG Q86W56 1/20 0.36
POLB P06746 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
NPC1 O15118 1/20 0.35
CYP11B2 P19099 1/20 0.35
MMP13 P45452 1/20 0.35
NAMPT P43490 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PDE7A Q13946 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
SCHEMBL15840304 0.87 POLB (0.36) L3MBTL1PARGPOLBHCAR1NPC1
SCHEMBL15840326 0.87 KDM4E (0.38) PARP1L3MBTL1PARGPOLBHCAR1
SCHEMBL16310746 0.84 HCAR1 (0.35) PARP1PARGPOLBHCAR1NPC1
SCHEMBL15840743 0.84 PTPN11 (0.39) L3MBTL1PARGPOLBHCAR1NPC1
SCHEMBL15840329 0.80 PARP1 (0.51) PARP1L3MBTL1HCAR1NPC1KDM4E
SCHEMBL17449514 0.80 CYP1A2 (0.37) PARP1TNKSTNKS2L3MBTL1POLB
SCHEMBL15840332 0.77 PDE3B (0.35) L3MBTL1NPC1KDM4EALDH1A1GLA
SCHEMBL15840308 0.76 PDE3B (0.43) L3MBTL1PARGPOLBHCAR1NPC1
SCHEMBL15840325 0.76 PARP1 (0.35) PARP1TNKSTNKS2L3MBTL1NPC1
SCHEMBL16310745 0.74 L3MBTL1 (0.38) L3MBTL1PARGNPC1KDM4EALDH1A1

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-9221795-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
US-9029384-B2 Phosphatidylinositol 3-kinase inhibitors Gilead Calistoga, LLC. (US) 2015-05-12 US disclosed
US-20140371246-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC 2014-12-18 US disclosed
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2014-06-26 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-20140371246-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R4, PIK3R5 PARP1 1220/4885TNKS 550/4885TNKS2 699/4885
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 PARP1 1382/4885TNKS 603/4885TNKS2 785/4885

“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.