SCHEMBL8514738

SCHEMBL8514738

CC(=O)Nc1nc2cc(-c3ccc4c(c3)CN(C(=O)OC(C)(C)C)CCO4)cnc2s1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.45
MTOR P42345 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR142 Q7Z601 7/20 0.39
CREBBP Q92793 5/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL16461592 0.87 PIK3CA (0.37) PIK3CAMTORNPC1RAB9ACREBBP
SCHEMBL857325 0.84 PIK3CA (0.44) PIK3CANPC1RAB9ASMN1; SMN2GPR142
SCHEMBL856444 0.79 PIK3CA (0.45) PIK3CAMTORGPR142CREBBP
SCHEMBL3756231 0.79 PIK3CA (0.70) PIK3CAMTORGPR142CREBBP
SCHEMBL856320 0.77 PIK3CA (0.49) PIK3CAMTORGPR142CREBBP
SCHEMBL3749745 0.77 PIK3CA (0.49) PIK3CAMTORGPR142
SCHEMBL3752728 0.77 PIK3CA (0.62) PIK3CAMTORGPR142CREBBP
SCHEMBL30405764 0.77 PIK3CA (0.62) PIK3CAMTORGPR142CREBBP
Hydrochloric Acid SCHEMBL8513371 0.76 NPC1 (0.44) PIK3CANPC1RAB9ASMN1; SMN2PIK3CG
SCHEMBL2724334 0.75 PIK3CA (0.47) PIK3CAMTORGPR142CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 US disclosed
EP-2643327-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-10-02 EP disclosed
WO-2012071511-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-31 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-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RICTOR, RPTOR PIK3CA 135/4885MTOR 1/4885NPC1 1390/4885

“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.