SCHEMBL10183002

SCHEMBL10183002

Cn1c(C(C)(C)C)cnc1CN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 3/20 0.39
SIGMAR1 Q99720 1/20 0.38
CNR2 P34972 3/20 0.38
CXCR4 P61073 1/20 0.38
CYP2D6 P10635 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CNR1 P21554 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
CYP2A13 Q16696 1/20 0.36
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL10182997 0.86 CYP2C19 (0.40) CYP2C19ALDH1A1SIGMAR1CYP2D6HRH3
SCHEMBL10235007 0.77 CYP2C19 (0.41) ALOX15CYP3A4CYP2C19ALDH1A1SIGMAR1
SCHEMBL2824676 0.74 CYP2C19 (0.44) CYP3A4CYP2C19ALDH1A1CNR2L3MBTL1
SCHEMBL2826040 0.71 HCRTR1 (0.46) ALOX15CYP3A4CYP2C19ALDH1A1CNR2
SCHEMBL21978852 0.71 FYN (0.44) ALOX15CYP3A4CYP2C19ALDH1A1CYP2D6
SCHEMBL12997491 0.70 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL31326491 0.69 ALDH1A1 (0.46) ALOX15CYP3A4CYP2C19ALDH1A1CXCR4
SCHEMBL30660164 0.68 AURKA (0.48) ALOX15CYP3A4CYP2C19ALDH1A1CXCR4
SCHEMBL24453628 0.68 ALOX15 (0.48) ALOX15CYP3A4CYP2C19CNR2CXCR4
SCHEMBL26351869 0.68 SMN1; SMN2 (0.51) ALOX15CYP3A4CYP2C19ALDH1A1CNR2

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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF ALOX15 3361/4885CYP3A4 3520/4885CYP2C19 3284/4885

“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.