SCHEMBL15434655

SCHEMBL15434655

C=Cc1c(C)nc(N)nc1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 7/20 0.39
HEXB P07686 7/20 0.39
DHFR P00374 3/20 0.36
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
SLC22A1 O15245 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL9284246 0.83 KDM4E (0.40) DHFRTLR8TLR7ALDH1A1LMNA
SCHEMBL16479759 0.82 HEXA (0.38) HEXAHEXBDHFRTLR8TLR7
SCHEMBL15508427 0.76 NPSR1 (0.46) HEXAHEXBDHFRTLR8TLR7
SCHEMBL15434669 0.74 HEXA (0.41) HEXAHEXBDHFRALDH1A1LMNA
SCHEMBL15508426 0.74 TLR8 (0.44) HEXAHEXBDHFRTLR8TLR7
SCHEMBL8532660 0.73 KDM4E (0.39) TLR8TLR7ALDH1A1LMNACYP1A2
SCHEMBL15434725 0.72 TLR8 (0.49) HEXAHEXBDHFRTLR8TLR7
SCHEMBL31051087 0.72 TLR8 (0.49) HEXAHEXBDHFRTLR8TLR7
SCHEMBL15429541 0.71 KDM4E (0.37) ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL9289684 0.69 KDM4E (0.38) ALDH1A1LMNASMN1; SMN2KDM4E

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
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 (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-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RICTOR, RPTOR HEXA 3971/4885HEXB 3935/4885DHFR 3017/4885
US-20140073628-A1 BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RPTOR, RICTOR HEXA 4132/4885HEXB 4120/4885DHFR 4610/4885

“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.