SCHEMBL16443896

SCHEMBL16443896

CCCNc1nc(Nc2cccc(F)c2)ncc1CCc1cc(NC(=O)C(C)NC)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 11/20 0.48
▸ AURKA O14965 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ CCNT1 O60563 2/20 0.41
▸ CCNE1 P24864 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ BTK Q06187 1/20 0.40
▸ PDPK1 O15530 4/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ITK Q08881 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL15585100 1.00 TBK1 (0.48) TBK1AURKAFLT3CCNT1CCNE1
SCHEMBL15584143 0.85 TBK1 (0.44) TBK1AURKAFLT3CCNT1CCNE1
SCHEMBL16444467 0.85 TBK1 (0.44) TBK1AURKAFLT3CCNT1CCNE1
SCHEMBL16444175 0.85 TBK1 (0.51) TBK1PDPK1SIRT5TP53MAPT
SCHEMBL15584658 0.85 TBK1 (0.51) TBK1PDPK1SIRT5TP53MAPT
SCHEMBL15585297 0.83 FLT3 (0.53) TBK1AURKAFLT3CCNT1CCNE1
SCHEMBL15585815 0.82 TBK1 (0.43) TBK1AURKAFLT3CCNT1CCNE1
SCHEMBL16443990 0.81 FLT3 (0.50) TBK1AURKAFLT3BTKPDPK1
SCHEMBL15584682 0.81 FLT3 (0.50) TBK1AURKAFLT3BTKPDPK1
SCHEMBL16444565 0.80 NTRK1 (0.44) AURKAFLT3EGFRSYK

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 TBK1 711/4885AURKA 361/4885FLT3 1/4885

“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.

Send feedback