SCHEMBL3760409

SCHEMBL3760409

Cc1cccnc1N1CCOc2ccc(-c3ccc4nc(NC(=O)O)[nH]c4c3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.45
CREBBP Q92793 2/20 0.41
GPR142 Q7Z601 3/20 0.40
ABL1 P00519 6/20 0.40
PIK3CG P48736 1/20 0.40
CHEK1 O14757 1/20 0.38

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
SCHEMBL7865633 0.93 PIK3CA (0.43) PIK3CACREBBPGPR142ABL1PIK3CG
SCHEMBL3715967 0.87 CREBBP (0.47) PIK3CACREBBPGPR142ABL1
SCHEMBL15522763 0.85 PIK3CA (0.44) PIK3CACREBBPGPR142
SCHEMBL3717345 0.85 PIK3CA (0.45) PIK3CACREBBPGPR142ABL1PIK3CG
SCHEMBL3716268 0.84 PIK3CA (0.42) PIK3CACREBBPGPR142ABL1
SCHEMBL3753317 0.83 PIK3CA (0.44) PIK3CAGPR142ABL1
SCHEMBL3757616 0.82 CREBBP (0.47) PIK3CACREBBPGPR142ABL1
SCHEMBL15603621 0.82 LMNA (0.45) PIK3CACREBBPGPR142ABL1
SCHEMBL3757188 0.82 BTK (0.42) PIK3CACREBBP
SCHEMBL3716243 0.81 MTNR1B (0.44) PIK3CAGPR142

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-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US claimed
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 PIK3CA 3/4885CREBBP 259/4885GPR142 1660/4885

“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.