SCHEMBL15840304

SCHEMBL15840304

Cc1ccc2nc(C)n(C)c(=O)c2c1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
PARG Q86W56 1/20 0.36
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTPN11 Q06124 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
SCHEMBL15840331 0.87 PARP1 (0.37) POLBPARGKDM4EALDH1A1LMNA
SCHEMBL16310746 0.84 HCAR1 (0.35) POLBPARGNPC1RAB9AHCAR1
SCHEMBL15840308 0.83 PDE3B (0.43) POLBPARGPDE3BPDE3AKDM4E
SCHEMBL15840326 0.80 KDM4E (0.38) POLBPARGPDE3BPDE3AKDM4E
SCHEMBL17449521 0.80 ACSS2 (0.41) POLBKDM4EALDH1A1LMNAHPGD
SCHEMBL15840743 0.78 PTPN11 (0.39) POLBPARGKDM4EALDH1A1NPC1
SCHEMBL24099276 0.77 POLB (0.41) POLBALDH1A1LMNAHCAR1L3MBTL1
SCHEMBL15840332 0.77 PDE3B (0.35) PDE3BPDE3AKDM4EALDH1A1NPC1
SCHEMBL15840329 0.77 PARP1 (0.51) KDM4EALDH1A1LMNANPC1GLA
SCHEMBL7014708 0.76 ELANE (0.49) KDM4EALDH1A1LMNAL3MBTL1

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 POLB 2015/4885PARG 4480/4885PDE3B 485/4885
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 POLB 2072/4885PARG 4634/4885PDE3B 356/4885
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 POLB 2072/4885PARG 4634/4885PDE3B 356/4885

“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.