SCHEMBL15840308

SCHEMBL15840308

Cc1ccc2nc(C)n(C)c(=O)c2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.43
PDE3A Q14432 4/20 0.43
PARG Q86W56 1/20 0.37
PDE2A O00408 1/20 0.36
P2RY12 Q9H244 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CDK9 P50750 1/20 0.33
DYRK1A Q13627 1/20 0.33
PTPN11 Q06124 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
SCHEMBL15840741 0.83 HCAR1 (0.37) PARGHCAR1KDM4EALDH1A1LMNA
SCHEMBL15840304 0.83 POLB (0.36) PDE3BPDE3APARGHCAR1KDM4E
SCHEMBL15840326 0.83 KDM4E (0.38) PDE3BPDE3APARGHCAR1KDM4E
SCHEMBL7014708 0.79 ELANE (0.49) KDM4EALDH1A1LMNAL3MBTL1
SCHEMBL15840333 0.78 KDM4E (0.39) PDE3BPDE3APDE2AP2RY12KDM4E
SCHEMBL15840309 0.78 ELANE (0.38) PDE3BPDE3APARGKDM4EALDH1A1
SCHEMBL15840331 0.76 PARP1 (0.37) PARGHCAR1KDM4EALDH1A1LMNA
SCHEMBL15840743 0.73 PTPN11 (0.39) PARGHCAR1KDM4EALDH1A1NPC1
SCHEMBL27964781 0.73 PARG (0.37) PARGKDM4EALDH1A1LMNAMAPT
SCHEMBL16310746 0.73 HCAR1 (0.35) PARGHCAR1NPC1RAB9APOLB

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 PDE3B 485/4885PDE3A 455/4885PARG 4480/4885
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 PDE3B 356/4885PDE3A 335/4885PARG 4634/4885
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 PDE3B 356/4885PDE3A 335/4885PARG 4634/4885

“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.