SCHEMBL15840309

SCHEMBL15840309

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
AURKA O14965 1/20 0.34
KDR P35968 1/20 0.34
AURKB Q96GD4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PDE6D O43924 1/20 0.34

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 0.86 PDE7A (0.33) ELANEKDM4EALDH1A1HPGDGLA
SCHEMBL15840332 0.86 PDE3B (0.35) ELANEKDM4EALDH1A1HPGDGLA
SCHEMBL15840746 0.86 PIK3R2 (0.41) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL7014708 0.78 ELANE (0.49) ELANEKDM4EALDH1A1LMNA
SCHEMBL15840308 0.78 PDE3B (0.43) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL17449523 0.77 ELANE (0.42) ELANEKDM4EALDH1A1HPGDLMNA
SCHEMBL15840304 0.75 POLB (0.36) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL15801415 0.74 ELANE (0.49) ELANEKDM4EMEN1KMT2ANPC1
SCHEMBL15840325 0.74 PARP1 (0.35) KDM4EHPGDMEN1KMT2AAURKA
SCHEMBL15840739 0.74 PIK3R2 (0.49) KDM4EALDH1A1HPGDLMNAMAPT

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 ELANE 3322/4885KDM4E 3701/4885ALDH1A1 3939/4885
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 ELANE 2892/4885KDM4E 3924/4885ALDH1A1 3794/4885
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 ELANE 2892/4885KDM4E 3924/4885ALDH1A1 3794/4885

“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.