SCHEMBL15434679

SCHEMBL15434679

CCc1nc(N)nc(C)c1C(C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 7/20 0.37
HEXB P07686 7/20 0.37
GHSR Q92847 1/20 0.36
DHFR P00374 4/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
SLC22A1 O15245 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL9287334 0.85 HEXA (0.39) HEXAHEXBDHFRALDH1A1MEN1
SCHEMBL15434656 0.82 KDM4E (0.39) DHFRALDH1A1LMNACYP1A2KDM4E
SCHEMBL15434724 0.76 HEXA (0.40) HEXAHEXBDHFRALDH1A1MEN1
SCHEMBL9287299 0.73 KDM4E (0.34) ALDH1A1LMNAKMT2ATLR8KDM4E
SCHEMBL15508426 0.71 TLR8 (0.44) HEXAHEXBDHFRALDH1A1MEN1
SCHEMBL15429583 0.70 ALDH1A1 (0.31) ALDH1A1LMNAKDM4E
SCHEMBL15434720 0.70 TLR8 (0.39) HEXAHEXBDHFRALDH1A1TLR8
SCHEMBL31051087 0.70 TLR8 (0.49) HEXAHEXBDHFRALDH1A1MEN1
SCHEMBL15434725 0.70 TLR8 (0.49) HEXAHEXBDHFRALDH1A1MEN1
SCHEMBL15434655 0.69 HEXA (0.39) HEXAHEXBDHFRALDH1A1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 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-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RICTOR, RPTOR HEXA 3971/4885HEXB 3935/4885GHSR 2330/4885

“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.