SCHEMBL20129536

SCHEMBL20129536

CCCCC#Cc1cnc(Nc2ccc(C#N)cc2)nc1NCCC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.60
SYK P43405 1/20 0.47
AURKA O14965 1/20 0.42
MERTK Q12866 1/20 0.41
ABCB1 P08183 2/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
ABCC1 P33527 1/20 0.41
STK17A Q9UEE5 5/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
STK17B O94768 3/20 0.40
CHEK1 O14757 2/20 0.39
GRM5 P41594 2/20 0.38
MAOB P27338 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL20129533 0.94 FLT3 (0.59) FLT3SYKAURKAMERTKABCB1
SCHEMBL20172044 0.94 FLT3 (0.54) FLT3SYKAURKAMERTKABCB1
SCHEMBL15585199 0.93 FLT3 (0.58) FLT3SYKSTK17ASTK17BCHEK1
SCHEMBL15584131 0.93 FLT3 (0.60) FLT3SYKAURKAMERTKABCB1
Hydrochloric Acid SCHEMBL21046222 0.92 FLT3 (0.57) FLT3SYKSTK17ASTK17BCHEK1
SCHEMBL15584311 0.88 FLT3 (0.53) FLT3SYKAURKAMERTKABCB1
SCHEMBL15584132 0.88 FLT3 (0.57) FLT3SYKAURKAMERTKABCB1
SCHEMBL15585828 0.87 FLT3 (0.65) FLT3SYKAURKAMERTKGRM5
SCHEMBL16450120 0.87 FLT3 (0.65) FLT3SYKAURKAMERTKSTK17A
SCHEMBL16450152 0.86 FLT3 (0.55) FLT3SYKAURKAMERTKABCB1

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-20180127382-A1 METHOD FOR MANUFACTURING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND INTERMEDIATE OF SAME FUJIFILM CORPORATION (JP) 2018-05-10 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-20180127382-A1 METHOD FOR MANUFACTURING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND INTERMEDIATE OF SAME FLT3, ARG1, KIT FLT3 1/4885SYK 54/4885AURKA 568/4885

“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.