SCHEMBL1497370

SCHEMBL1497370

C=CC(=O)Nc1ccc(CCNC(=O)c2cc3nc(Cl)nc(N4CCOCC4)c3s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.43
PIKFYVE Q9Y2I7 2/20 0.43
PIK3R1 P27986 2/20 0.42
PIK3CA P42336 2/20 0.42
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
MTOR P42345 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TTK P33981 1/20 0.39
P2RX3 P56373 1/20 0.39
EGFR P00533 2/20 0.39
CDK2 P24941 1/20 0.38
TYK2 P29597 1/20 0.38

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
SCHEMBL12313303 0.87 PIK3CA (0.40) PIKFYVEPIK3R1PIK3CAMTORRXFP1
SCHEMBL1497360 0.85 PIK3CA (0.56) PIK3CAMTOR
SCHEMBL12265582 0.82 PIKFYVE (0.42) JAK3PIKFYVEPIK3R1PIK3CAJAK2
SCHEMBL1497591 0.81 PIK3CA (0.59) PIK3R1PIK3CAJAK1MTORTTK
SCHEMBL1497340 0.79 HDAC6 (0.43) JAK3PIK3CAJAK2JAK1MTOR
SCHEMBL26072652 0.79 PIK3CA (0.52) PIKFYVEPIK3R1PIK3CAMTOR
SCHEMBL30366668 0.79 PIK3CA (0.52) PIKFYVEPIK3R1PIK3CAMTOR
SCHEMBL30366592 0.78 PIK3CA (0.50) PIKFYVEPIK3R1PIK3CAMTORRXFP1
SCHEMBL26079029 0.78 PIK3CA (0.50) PIKFYVEPIK3R1PIK3CAMTORRXFP1
SCHEMBL21054018 0.77 PIKFYVE (0.60) PIKFYVEPIK3R1PIK3CAMTORALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475375-A2 PI3 KINASE INHIBITORS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-07-18 EP disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 WO disclosed
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 WO 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 (1 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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B JAK3 65/4885PIKFYVE 9/4885PIK3R1 20/4885

“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.