SCHEMBL15840325

SCHEMBL15840325

Cc1nc2c(F)ccc(F)c2c(=O)n1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HKDC1 Q2TB90 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AURKA O14965 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
KCNH2 Q12809 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B13 Q7Z5P4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3R2 O00459 3/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL15840305 0.90 PDE7A (0.33) PARP1HKDC1L3MBTL1AURKAKDR
SCHEMBL15840332 0.90 PDE3B (0.35) HKDC1L3MBTL1AURKAKDRAURKB
SCHEMBL15840737 0.87 PIK3R2 (0.40) HSD17B13MEN1KMT2APIK3R2TSHR
SCHEMBL16310697 0.87 EGFR (0.34) HKDC1L3MBTL1AURKAKDRAURKB
SCHEMBL15840740 0.87 PIK3R2 (0.40) KDM4EHPGDMEN1KMT2APIK3R2
SCHEMBL16310611 0.83 KDM1A (0.41) KDM4EHPGDMEN1KMT2APIK3CD
SCHEMBL17449511 0.78 HPGD (0.40) KDM4EHPGDHSD17B13KMT2APIK3R2
SCHEMBL15840331 0.76 PARP1 (0.37) PARP1TNKSTNKS2L3MBTL1KDM4E
SCHEMBL15840326 0.76 KDM4E (0.38) PARP1L3MBTL1KDM4EHRH3KCNH2
SCHEMBL15840329 0.76 PARP1 (0.51) PARP1L3MBTL1KDM4EHRH3KCNH2

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 5 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
WO-2014100767-A1 ISOQUINOLINONE OR QUINAZOLINONE PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2014-06-26 WO 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.