SCHEMBL15907171

SCHEMBL15907171

C#Cc1cc(C(=O)Nc2cnc(N3CCCCC3)c(C)c2)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.48
KIT P10721 1/20 0.45
KCNQ3 O43525 2/20 0.43
KCNQ2 O43526 2/20 0.43
LCK P06239 1/20 0.43
TEK Q02763 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
BRAF P15056 2/20 0.43
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
CNR1 P21554 2/20 0.41
LMNA P02545 2/20 0.41
CNR2 P34972 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL18323501 0.91 KCNQ3 (0.51) DHODHKITKCNQ3KCNQ2BRAF
SCHEMBL15907169 0.84 DHODH (0.47) DHODHKCNQ3KCNQ2LCKTEK
SCHEMBL15907170 0.80 SCN10A (0.46) DHODHABL1MAPTTP53SMN1; SMN2
SCHEMBL15907206 0.80 KCNQ3 (0.47) DHODHKCNQ3KCNQ2ABL1MAPT
SCHEMBL15907267 0.78 CSF1R (0.53) KITLCKABL1BCRBRAF
SCHEMBL15907319 0.78 ABL1 (0.42) DHODHKITLCKTEKABL1
SCHEMBL15907294 0.78 LCK (0.44) KITLCKTEKABL1BCR
SCHEMBL15907173 0.77 SCN10A (0.42) DHODHMAPTTP53SMN1; SMN2SCN10A
SCHEMBL15907198 0.77 SCN10A (0.48) DHODHMAPTTP53SMN1; SMN2SCN10A
SCHEMBL15907211 0.74 SCN10A (0.47) DHODHABL1MAPTTP53SCN10A

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-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU "FUSION PHARMA" (RU) 2014-07-31 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-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon ABL1, ABL2, MAP3K6 DHODH 3179/4885KIT 577/4885KCNQ3 2455/4885

“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.