SCHEMBL18170437

SCHEMBL18170437

O=C(Nc1ccc(-c2ccccc2OC(F)(F)F)c2c1C(=O)NC2)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.54
SCN10A Q9Y5Y9 2/20 0.51
CASP3 P42574 2/20 0.42
MEN1 O00255 1/20 0.41
MMP14 P50281 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
IGF2BP2 Q9Y6M1 1/20 0.39
NAMPT P43490 1/20 0.38
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CSF1R P07333 1/20 0.37
PLK4 O00444 1/20 0.36
ROCK2 O75116 1/20 0.36
NTRK1 P04629 1/20 0.36
MET P08581 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
SCHEMBL18170648 0.86 KDR (0.56) KDRCASP3MEN1MMP14KMT2A
SCHEMBL18170818 0.85 KDR (0.60) KDRCASP3IGF2BP2NAMPT
SCHEMBL18170593 0.84 KDR (0.54) KDRCASP3MEN1MMP14KMT2A
SCHEMBL18170724 0.84 KDR (0.54) KDRCASP3MEN1KMT2ACSF1R
SCHEMBL18170678 0.84 KDR (0.54) KDRCASP3MEN1MMP14KMT2A
SCHEMBL18170900 0.83 KDR (0.55) KDRMEN1KMT2ACYP1A2
SCHEMBL18170883 0.83 KDR (0.56) KDRCASP3MEN1MMP14KMT2A
SCHEMBL18170529 0.82 KDR (0.57) KDRIGF2BP2
SCHEMBL18170676 0.82 KDR (0.54) KDRCASP3MEN1MMP14KMT2A
SCHEMBL18171035 0.82 KDR (0.52) KDRCASP3MEN1MMP14KMT2A

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 KDR 1662/4885SCN10A 2262/4885CASP3 2056/4885

“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.