SCHEMBL18170762

SCHEMBL18170762

O=C(Nc1ccc(Nc2cccc(Cl)c2)c2c1C(=O)NC2)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.47
CASP3 P42574 1/20 0.44
KCNMA1 Q12791 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BRAF P15056 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
EGFR P00533 1/20 0.42
ERBB3 P21860 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAOB P27338 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F10 P00742 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
MAPK14 Q16539 2/20 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
SCHEMBL18170461 0.87 MEN1 (0.52) KDRCASP3MEN1KMT2ANPC1
SCHEMBL18170963 0.85 KDR (0.55) KDRCASP3MEN1KMT2ANPC1
SCHEMBL18170626 0.83 KDR (0.42) KDRMEN1KMT2ALMNA
SCHEMBL18170549 0.83 KDR (0.53) KDRCASP3MEN1KMT2ANPC1
SCHEMBL18170590 0.83 CYP11B1 (0.57) KDRCASP3NPC1RAB9ALMNA
SCHEMBL18170631 0.83 ALDH1A1 (0.43) KDRMEN1KMT2ANPC1RAB9A
SCHEMBL18171017 0.82 MEN1 (0.48) KDRCASP3MEN1KMT2ASMN1; SMN2
SCHEMBL18170823 0.82 MAPT (0.46) KDRMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL18170930 0.81 MAPT (0.45) KDRMEN1KMT2ALMNA
SCHEMBL18170713 0.81 TRPA1 (0.44) KDRCASP3MEN1KMT2AAKR1C3

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 1662/4885CASP3 2056/4885KCNMA1 1525/4885

“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.