SCHEMBL15836409

SCHEMBL15836409

Cc1ccc2c(=O)n(C(C)(C)C)c(C(C)(C)C)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 1/20 0.39
CHEK1 O14757 1/20 0.36
PARP1 P09874 1/20 0.36
PIM1 P11309 1/20 0.36
RPS6KA3 P51812 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 2/20 0.36
TDO2 P48775 1/20 0.35
IDO2 Q6ZQW0 1/20 0.35
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRM2 Q14416 1/20 0.34
PDE10A Q9Y233 1/20 0.34
POLB P06746 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
SCHEMBL15836373 0.88 SMN1; SMN2 (0.46) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL15836377 0.84 KMT2A (0.43) MAPTKDM4ELMNASMN1; SMN2GAA
SCHEMBL15836383 0.84 TRPV4 (0.38) MAPTSMN1; SMN2GAACHEK1PARP1
SCHEMBL15836366 0.80 MAPT (0.58) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL15836399 0.77 GAA (0.34) MAPTSMN1; SMN2GAAHRH3
SCHEMBL15836410 0.75 MEN1 (0.46) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL15836367 0.75 TNKS (0.44) MAPTSMN1; SMN2GAAPARP1TDO2
SCHEMBL15836400 0.74
SCHEMBL15836420 0.74 GAA (0.32) MAPTSMN1; SMN2GAA
SCHEMBL15836413 0.70 ELANE (0.43) MAPTSMN1; SMN2GAAPARP1ELANE

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 3437/4885ALDH1A1 3939/4885KDM4E 3701/4885
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 MAPT 3702/4885ALDH1A1 3794/4885KDM4E 3924/4885
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 MAPT 3702/4885ALDH1A1 3794/4885KDM4E 3924/4885

“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.