SCHEMBL18170833

SCHEMBL18170833

O=C(Nc1ccc(-c2ccccc2)c2c1C(=O)NC2)c1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
KDR P35968 7/20 0.52
NTRK1 P04629 1/20 0.43
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 2/20 0.41
BCL3 P20749 1/20 0.41
GPR35 Q9HC97 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL18170681 0.90 KDR (0.55) MAPTKDRNTRK1ALDH1A1AURKA
SCHEMBL18170481 0.89 KDR (0.53) MAPTKDRALDH1A1NPC1HTT
SCHEMBL18170664 0.85 KDR (0.61) KDRALDH1A1NPC1HTT
SCHEMBL18170588 0.84 KDR (0.63) MAPTKDRALDH1A1NPC1
SCHEMBL18170868 0.83 KDR (0.56) MAPTKDRALDH1A1NPC1
SCHEMBL18170598 0.83 KDR (0.66) MAPTKDRALDH1A1NPC1
SCHEMBL18170453 0.82 KDR (0.63) MAPTKDRNPC1
SCHEMBL18170726 0.82 KDR (0.58) KDRTP53AURKAAURKB
SCHEMBL18170788 0.82 KDR (0.60) MAPTKDRNTRK1ALDH1A1HTT
SCHEMBL18170671 0.81 KDR (0.52) MAPTKDRALDH1A1NPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US claimed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US claimed
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 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-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNK1, NFKBIA MAPT 1133/4885KDR 1662/4885NTRK1 251/4885

“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.