SCHEMBL15840332

SCHEMBL15840332

Cc1ccc(F)c2nc(C)n(C)c(=O)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 2/20 0.33
F9 P00740 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TGFBR1 P36897 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ELANE P08246 1/20 0.32
PDE6D O43924 1/20 0.32
PDE5A O76074 1/20 0.32
PDE6A P16499 1/20 0.32
PDE6G P18545 1/20 0.32
PDE6B P35913 1/20 0.32

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
SCHEMBL15840325 0.90 PARP1 (0.35) L3MBTL1KDM4EHPGDHSD17B10HKDC1
SCHEMBL15840305 0.87 PDE7A (0.33) PDE3BPDE3AL3MBTL1ALDH1A1KDM4E
SCHEMBL15840309 0.86 ELANE (0.38) PDE3BPDE3AALDH1A1KDM4EGLA
SCHEMBL15840737 0.84 PIK3R2 (0.40) HSD17B10
SCHEMBL16310697 0.84 EGFR (0.34) L3MBTL1HKDC1AURKAKDRAURKB
SCHEMBL16310611 0.80 KDM1A (0.41) ALDH1A1KDM4EHPGD
SCHEMBL15840746 0.80 PIK3R2 (0.41) PDE3BPDE3AALDH1A1KDM4EGLA
SCHEMBL17449507 0.80 HPGD (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL15840740 0.78 PIK3R2 (0.40) KDM4EHPGDHSD17B10
SCHEMBL15840326 0.77 KDM4E (0.38) PDE3BPDE3AL3MBTL1ALDH1A1KDM4E

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 PDE3B 485/4885PDE3A 455/4885L3MBTL1 3296/4885
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 PDE3B 356/4885PDE3A 335/4885L3MBTL1 3566/4885

“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.