SCHEMBL16444565

SCHEMBL16444565

CCCNc1nc(Nc2ccc(C(N)=O)cc2)ncc1CCc1cccc(NC(=O)C(C)NC)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.44
▸ FLT3 P36888 3/20 0.43
▸ SYK P43405 3/20 0.43
▸ JAK3 P52333 7/20 0.42
▸ PTK2 Q05397 3/20 0.42
▸ JAK2 O60674 2/20 0.41
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ JAK1 P23458 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ BLK P51451 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ STAT6 P42226 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
SCHEMBL15584139 1.00 NTRK1 (0.44) NTRK1FLT3SYKJAK3PTK2
SCHEMBL15584386 0.85 FLT3 (0.55) NTRK1FLT3SYKJAK2AURKA
SCHEMBL15585194 0.84 FLT3 (0.55) NTRK1FLT3SYKJAK3PTK2
SCHEMBL15584138 0.82 FLT3 (0.63) NTRK1FLT3SYKJAK3PTK2
SCHEMBL16499960 0.82 FLT3 (0.63) NTRK1FLT3SYKJAK3PTK2
SCHEMBL16443896 0.80 TBK1 (0.48) FLT3SYKAURKAEGFR
SCHEMBL15585100 0.80 TBK1 (0.48) FLT3SYKAURKAEGFR
SCHEMBL15585781 0.78 PTK2 (0.44) FLT3SYKJAK3PTK2JAK2
SCHEMBL15584403 0.77 FLT3 (0.52) NTRK1FLT3SYKJAK2AURKA
SCHEMBL15584107 0.74 SYK (0.47) SYKJAK3JAK2AURKAJAK1

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
EP-2840080-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2017-12-06 — — EP disclosed
US-9145415-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2015-09-29 — — US disclosed
EP-2840080-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF Fujifilm Corporation (JP) 2015-02-25 — — EP 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 NTRK1 1109/4885FLT3 1/4885SYK 37/4885

“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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