SCHEMBL15836367

SCHEMBL15836367

CC(C)(C)c1nc2ccc(F)cc2c(=O)n1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.44
PARP1 P09874 4/20 0.44
TNKS2 Q9H2K2 4/20 0.44
TDO2 P48775 4/20 0.44
IDO2 Q6ZQW0 3/20 0.44
IDO1 P14902 3/20 0.44
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.40
DHODH Q02127 2/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
TYMS P04818 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 1/20 0.36
CASR P41180 1/20 0.36

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
SCHEMBL15836383 0.88 TRPV4 (0.38) TNKSPARP1TNKS2TDO2IDO2
SCHEMBL15836373 0.84 SMN1; SMN2 (0.46) POLBGAAMAPTSMN1; SMN2L3MBTL1
SCHEMBL15836410 0.82 MEN1 (0.46) TNKSPARP1TNKS2DHODHGAA
SCHEMBL15836399 0.82 GAA (0.34) GAAMAPTSMN1; SMN2
SCHEMBL15836366 0.78 MAPT (0.58) GAAMAPTSMN1; SMN2L3MBTL1GLA
SCHEMBL15836395 0.78 TNKS (0.38) TNKSPARP1TNKS2
SCHEMBL15836409 0.75 MAPT (0.39) PARP1TDO2IDO2POLBGAA
SCHEMBL15836418 0.74 PIK3CD (0.35)
SCHEMBL15836371 0.73 TNKS (0.40) TNKSPARP1TNKS2GAAMAPT
SCHEMBL15836370 0.73 GAA (0.30) GAAMAPTSMN1; SMN2

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 TNKS 550/4885PARP1 1220/4885TNKS2 699/4885
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 TNKS 603/4885PARP1 1382/4885TNKS2 785/4885
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 TNKS 603/4885PARP1 1382/4885TNKS2 785/4885

“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.