SCHEMBL18170790

SCHEMBL18170790

O=C(Nc1ccc(-c2cccc3ncoc23)c2c1C(=O)NC2)c1ccc(NCCN2CCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.41
TNIK Q9UKE5 1/20 0.35
PARP1 P09874 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MCHR1 Q99705 1/20 0.34
CHRNA7 P36544 2/20 0.34
KCNH2 Q12809 2/20 0.34
LCK P06239 2/20 0.34
MAPK14 Q16539 2/20 0.34
CTNNB1 P35222 1/20 0.34
TCF7L2 Q9NQB0 1/20 0.34
MAP4K1 Q92918 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL18170885 0.99 KDR (0.40) KDRTNIKPARP1KDM4EALDH1A1
SCHEMBL18170614 0.99 KDR (0.40) KDRTNIKPARP1KDM4EALDH1A1
SCHEMBL18170978 0.95 CHRNA7 (0.41) KDRMAPTCHRNA7KCNH2NAMPT
SCHEMBL18170703 0.87 KDR (0.43) KDRTNIKPARP1KDM4EALDH1A1
SCHEMBL18170556 0.86 KDR (0.43) KDRTNIKPARP1LCK
SCHEMBL18170748 0.86 KDR (0.42) KDRTNIKPARP1CTNNB1TCF7L2
SCHEMBL18170717 0.84 CASP3 (0.45) KDRPARP1KDM4EALDH1A1HPGD
SCHEMBL18170615 0.84 HRH3 (0.45) KDRTNIKPARP1CTNNB1TCF7L2
SCHEMBL18170565 0.84 KDR (0.44) KDRTNIKKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL18170910 0.83 KDR (0.44) KDRTNIKKDM4EALDH1A1MAPT

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 1662/4885TNIK 1/4885PARP1 2518/4885

“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.