SCHEMBL9290706

SCHEMBL9290706

COC(=O)Nc1nc2cc(-c3ccc4c(c3)CN(c3nc(N)nc(C)c3C(C)C)CCO4)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.36
PIK3CA P42336 4/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
GPR142 Q7Z601 6/20 0.34
PIK3CG P48736 1/20 0.34
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33
TUBB3 Q13509 2/20 0.33
TUBB2A Q13885 2/20 0.33
TUBB8 Q3ZCM7 2/20 0.33
TUBA3E Q6PEY2 2/20 0.33
TUBA1A Q71U36 2/20 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
SCHEMBL8533516 0.93 CREBBP (0.38) CREBBPPIK3CAGPR142PIK3CGPOLB
SCHEMBL16479946 0.91 PIK3CG (0.37) CREBBPLMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL8535612 0.87 PIK3CA (0.35) CREBBPPIK3CA
SCHEMBL8535507 0.86 PIK3CA (0.43) CREBBPPIK3CA
SCHEMBL8536906 0.81 PIK3CA (0.42) CREBBPPIK3CAPIK3CG
SCHEMBL8514534 0.80 CREBBP (0.37) CREBBPPIK3CAGPR142POLBUSP2
SCHEMBL8534481 0.79 PIK3CA (0.37) CREBBPPIK3CA
SCHEMBL8533388 0.79 PIK3CA (0.38) CREBBPPIK3CA
SCHEMBL15514150 0.78 CREBBP (0.37) CREBBPPIK3CAGPR142
SCHEMBL16479808 0.78 PIK3CG (0.33) PIK3CG

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 2 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 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 CREBBP 393/4885PIK3CA 12/4885LMNA 1274/4885

“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.