SCHEMBL15840305

SCHEMBL15840305

Cc1ccc(F)c2c(=O)n(C)c(C)nc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7B Q9NP56 1/20 0.33
HSD17B13 Q7Z5P4 2/20 0.32
ELANE P08246 3/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
AURKA O14965 1/20 0.31
KDR P35968 1/20 0.31
AURKB Q96GD4 1/20 0.31
PARP1 P09874 1/20 0.31
PIK3CB P42338 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.30

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) HSD17B13HKDC1L3MBTL1AURKAKDR
SCHEMBL15840332 0.87 PDE3B (0.35) ELANEPDE3BPDE3AHKDC1L3MBTL1
SCHEMBL15840309 0.86 ELANE (0.38) ELANEPDE3BPDE3AAURKAKDR
SCHEMBL15840740 0.84 PIK3R2 (0.40) PDE7AKDM4EHPGD
SCHEMBL17449505 0.80 HSD17B13 (0.39) HSD17B13ELANEKDM4EHPGDALDH1A1
SCHEMBL16310697 0.78 EGFR (0.34) HKDC1L3MBTL1AURKAKDRAURKB
SCHEMBL15840737 0.78 PIK3R2 (0.40) HSD17B13PIK3CB
SCHEMBL16310611 0.74 KDM1A (0.41) KDM4EHPGDALDH1A1
SCHEMBL15840304 0.73 POLB (0.36) PDE3BPDE3AL3MBTL1KDM4EHPGD
SCHEMBL15840326 0.73 KDM4E (0.38) PDE3BPDE3AL3MBTL1PARP1KDM4E

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-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC. 2016-01-21 US disclosed
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 (3 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 PDE7A 800/4885PDE4A 536/4885PDE4B 572/4885
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 PDE7A 1019/4885PDE4A 595/4885PDE4B 667/4885
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 PDE7A 1019/4885PDE4A 595/4885PDE4B 667/4885

“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.