SCHEMBL8636847

SCHEMBL8636847

Nc1cc(N2CCOc3ccc(-c4cnc5sc(N)nc5c4)cc3C2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.38
GPR142 Q7Z601 2/20 0.37
DYRK1A Q13627 2/20 0.35
MTOR P42345 1/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
CREBBP Q92793 3/20 0.34
PRKDC P78527 1/20 0.33
CHEK1 O14757 2/20 0.33
GAK O14976 1/20 0.32
KIT P10721 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVR1 Q04771 1/20 0.32
CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL15408117 0.87 PIK3CA (0.37) PIK3CAGPR142MTORMAPTRAB9A
SCHEMBL16476910 0.85 CHEK1 (0.35) PIK3CAMTORMAPTRAB9ASMN1; SMN2
SCHEMBL8586187 0.84 DYRK1A (0.40) PIK3CAGPR142DYRK1AMTORMAPT
SCHEMBL8530464 0.83 PIK3CA (0.38) PIK3CAGPR142DYRK1AMTORMAPT
SCHEMBL8533147 0.82 PIK3CA (0.37) PIK3CAGPR142DYRK1AMTORMAPT
SCHEMBL8515798 0.82 GPR142 (0.37) PIK3CAGPR142DYRK1AMTORMAPT
SCHEMBL8534964 0.81 MAPT (0.42) PIK3CAGPR142DYRK1AMTORMAPT
SCHEMBL8536197 0.81 CRHBP (0.42) PIK3CAGPR142DYRK1AMTORMAPT
SCHEMBL15408313 0.80 PIK3CA (0.37) PIK3CADYRK1AMTORMAPTRAB9A
SCHEMBL15406939 0.80 PIK3CA (0.37) PIK3CADYRK1AMTORMAPTRAB9A

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
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 US claimed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 US disclosed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 US disclosed
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 135/4885GPR142 2234/4885DYRK1A 3194/4885

“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.