SCHEMBL18170565

SCHEMBL18170565

O=C(Nc1ccc(-c2cccc(F)c2F)c2c1C(=O)NC2)c1ccc(NCCN2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.44
WNT1 P04628 3/20 0.40
DYRK1A Q13627 3/20 0.40
TYK2 P29597 5/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
CACNA1G O43497 2/20 0.39
TNIK Q9UKE5 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRM3 P20309 1/20 0.38
CTNNB1 P35222 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37

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
Hydrochloric Acid SCHEMBL18170910 0.99 KDR (0.44) KDRWNT1DYRK1ATYK2JAK2
SCHEMBL18170462 0.95 KDR (0.43) KDRTYK2JAK2JAK1JAK3
Hydrochloric Acid SCHEMBL18170841 0.94 KDR (0.43) KDRTYK2JAK2JAK1JAK3
SCHEMBL18170698 0.93 MAPK14 (0.44) KDRWNT1DYRK1ATYK2JAK2
SCHEMBL18170974 0.90 KDR (0.43) KDRTYK2JAK2JAK1JAK3
SCHEMBL18170443 0.86 KDR (0.55) KDRTNIK
SCHEMBL18170539 0.85 KDR (0.54) KDRTNIK
SCHEMBL18170931 0.85 KDR (0.54) KDRTNIK
SCHEMBL18170557 0.85 SMN1; SMN2 (0.47) KDRALDH1A1HPGD
SCHEMBL18170748 0.85 KDR (0.42) KDRTNIKCTNNB1TCF7L2

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 1662/4885WNT1 1992/4885DYRK1A 1566/4885

“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.