Sugi Predict

Sugi Predict / Compounds / SCHEMBL9612704

SCHEMBL9612704

SCHEMBL9612704

Cc1nc2ccc(-c3cc(C)c4c(c3)CN(C(=O)N3CCc5ccccc5C3)CCO4)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.51
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HTT P42858 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ HSD11B1 P28845 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ CREBBP Q92793 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL9612538 0.89 PIK3CA (0.53) PIK3CACREBBPSMN1; SMN2NPC1RAB9A
SCHEMBL9612499 0.89 PIK3CA (0.53) PIK3CAKMT2AKDM4EPOLBMAPT
SCHEMBL9612565 0.89 PIK3CA (0.47) PIK3CAMEN1KMT2AHTTKDM4E
SCHEMBL15433948 0.89 PIK3CA (0.53) PIK3CACREBBPALDH1A1SMN1; SMN2NPC1
SCHEMBL9612534 0.89 PIK3CA (0.53) PIK3CACREBBPALDH1A1SMN1; SMN2NPC1
SCHEMBL9612539 0.89 PIK3CA (0.53) PIK3CACREBBPALDH1A1SMN1; SMN2NPC1
SCHEMBL6127000 0.89 PIK3CA (0.64) PIK3CAPOLBCREBBPALDH1A1HPGD
SCHEMBL9612614 0.88 PIK3CA (0.51) PIK3CACREBBP
SCHEMBL9612736 0.87 PIK3CA (0.49) PIK3CAPOLBMAPK1MAPTCREBBP
SCHEMBL9612560 0.87 PIK3CA (0.47) PIK3CAMEN1KMT2AHTTKDM4E

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-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-12-25 — — US disclosed
US-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-12-25 — — US disclosed
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-01-23 — — US disclosed
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture EXELIXIS, INC. (US) 2014-01-23 — — US disclosed
WO-2012071509-A2 BENZOXAZEPINES AS INHIBITORS OF P13K/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 (2 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-20140378436-A9 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885MEN1 3183/4885KMT2A 2645/4885
US-20140024637-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their use and Manufacture MTOR, RICTOR, PIK3CA PIK3CA 3/4885MEN1 3183/4885KMT2A 2645/4885

“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.