SCHEMBL15836366

SCHEMBL15836366

CC(C)(C)c1nc2ccccc2c(=O)n1C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 4/20 0.46
ELANE P08246 1/20 0.45
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PDE7A Q13946 1/20 0.43
PDE7B Q9NP56 1/20 0.43
GLA P06280 1/20 0.42
CYP1A2 P05177 1/20 0.42
LMNA P02545 1/20 0.42
CNR2 P34972 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL5928786 0.80 KDM4E (0.63) MAPTGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL15836409 0.80 MAPT (0.39) MAPTGAASMN1; SMN2KDM4EELANE
SCHEMBL15836373 0.80 SMN1; SMN2 (0.46) MAPTGAASMN1; SMN2KDM4EELANE
SCHEMBL7762374 0.79 PDE7A (0.58) MAPTGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL15836367 0.78 TNKS (0.44) MAPTGAASMN1; SMN2L3MBTL1GLA
SCHEMBL15836383 0.78 TRPV4 (0.38) MAPTGAASMN1; SMN2L3MBTL1GLA
SCHEMBL12196279 0.78 LMNA (0.52) MAPTSMN1; SMN2KDM4EALDH1A1L3MBTL1
SCHEMBL15836408 0.76 ELANE (0.49) MAPTGAASMN1; SMN2KDM4EELANE
SCHEMBL15836413 0.76 ELANE (0.43) MAPTGAASMN1; SMN2ELANE
SCHEMBL16309051 0.76 ALDH1A1 (0.44) MAPTGAASMN1; SMN2ELANEALDH1A1

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 MAPT 3437/4885GAA 1156/4885SMN1; SMN2 1453/4885
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 MAPT 3702/4885GAA 913/4885SMN1; SMN2 1232/4885
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 MAPT 3702/4885GAA 913/4885SMN1; SMN2 1232/4885

“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.