SCHEMBL16450117

SCHEMBL16450117

CCCNc1nc(Nc2cccc(F)c2)ncc1C#CCCCNC(=O)[C@H](CC(C)C)NC

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 3/20 0.55
▸ TBK1 Q9UHD2 13/20 0.47
▸ PDPK1 O15530 4/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.44
▸ CACNA1B Q00975 2/20 0.40
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ NCOR2 Q9Y618 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
SCHEMBL15584270 0.93 FLT3 (0.55) FLT3TBK1PDPK1SIRT5
SCHEMBL15584276 0.93 FLT3 (0.55) FLT3TBK1PDPK1SIRT5
SCHEMBL15584121 0.91 FLT3 (0.58) FLT3TBK1PDPK1SIRT5
SCHEMBL16444253 0.91 FLT3 (0.58) FLT3TBK1PDPK1SIRT5
SCHEMBL15584266 0.90 FLT3 (0.53) FLT3TBK1PDPK1SIRT5
SCHEMBL15584737 0.90 FLT3 (0.56) FLT3TBK1PDPK1SIRT5
SCHEMBL15584262 0.88 FLT3 (0.55) FLT3TBK1PDPK1SIRT5
SCHEMBL16444323 0.85 FLT3 (0.66) FLT3TBK1PDPK1SIRT5
SCHEMBL15585831 0.85 FLT3 (0.52) FLT3TBK1PDPK1SIRT5
SCHEMBL15585820 0.84 FLT3 (0.51) FLT3TBK1PDPK1SIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145415-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2015-09-29 — — US disclosed
US-9145415-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2015-09-29 — — US disclosed
US-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-02-12 — — US disclosed
US-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-02-12 — — 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-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FLT3, NPM1, ABL1 FLT3 1/4885TBK1 711/4885PDPK1 1748/4885

“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.

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