SCHEMBL3764883

SCHEMBL3764883

Cc1nc2cc(-c3ccc4c(c3)CN(c3ncnc(C)c3Cc3ccc(F)cc3)CCN4)cnc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIT P10721 11/20 0.33
TNIK Q9UKE5 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
PRMT5 O14744 1/20 0.32
GRIA1 P42261 1/20 0.32
CACNG2 Q9Y698 1/20 0.32
PDE10A Q9Y233 1/20 0.31
NPY5R Q15761 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
SCHEMBL857474 0.86 TNIK (0.37) KITTNIKPDE10A
SCHEMBL3757402 0.76 PIK3CA (0.37) KITTNIK
SCHEMBL3756732 0.74 TNIK (0.35) TNIK
SCHEMBL861032 0.74 PIK3CA (0.47) KITGRIA1PDE10ANPY5R
SCHEMBL16479784 0.72 AKT1 (0.32)
SCHEMBL858821 0.71 AURKA (0.33) KITTNIKPDE10A
SCHEMBL856296 0.70 GRIA1 (0.34) KITTNIKGRIA1PDE10A
SCHEMBL855967 0.70 PRKDC (0.33) KITTNIK
SCHEMBL856540 0.69 PIK3CA (0.39) KITGRIA1
SCHEMBL856184 0.69 PIK3CA (0.38) KIT

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-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA KIT 224/4885TNIK 817/4885PSEN1 346/4885

“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.