SCHEMBL8534626

SCHEMBL8534626

Cc1nc2cc(-c3ccc4c(c3)CN(c3cc(N)ncc3C#N)CCO4)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.41
GPR142 Q7Z601 1/20 0.37
CREBBP Q92793 3/20 0.35
PRKDC P78527 1/20 0.35
DYRK1A Q13627 1/20 0.33
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
S1PR1 P21453 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
SCHEMBL9290716 0.90 PIK3CA (0.43) PIK3CAGPR142CREBBPPRKDCDYRK1A
SCHEMBL16479938 0.89 PIK3CA (0.33) PIK3CAFGFR1FGFR2FGFR3
SCHEMBL8515798 0.81 GPR142 (0.37) PIK3CAGPR142CREBBPPRKDCDYRK1A
SCHEMBL856283 0.77 CREBBP (0.46) PIK3CAGPR142CREBBP
SCHEMBL855779 0.74 PIK3CA (0.51) PIK3CAGPR142FGFR1FGFR2FGFR3
SCHEMBL8535507 0.73 PIK3CA (0.43) PIK3CACREBBPDYRK1A
SCHEMBL856410 0.73 PIK3CA (0.46) PIK3CAGPR142CREBBP
SCHEMBL13082143 0.72 PIK3CA (0.39) PIK3CAGPR142CREBBPPRKDC
SCHEMBL3755154 0.72 PIK3CA (0.66) PIK3CACREBBP
SCHEMBL8512772 0.72 PIK3CA (0.39) PIK3CACREBBPDYRK1A

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-20140073628-A1 BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE RICE KENNETH D (US) 2014-03-13 US claimed
US-20140073628-A1 BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE RICE KENNETH D (US) 2014-03-13 US disclosed
US-20140073628-A1 BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE RICE KENNETH D (US) 2014-03-13 US disclosed
EP-2643315-A1 BENZOXAZEPINES AS INHIBITORS OF P13K/mTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-10-02 EP disclosed
WO-2012071501-A1 BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR 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-20140073628-A1 BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RPTOR, RICTOR PIK3CA 12/4885GPR142 3008/4885CREBBP 393/4885

“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.