SCHEMBL18170776

SCHEMBL18170776

COc1c(F)cccc1-c1ccc(NC(=O)c2ccccc2)c2c1CNC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.54
CASP3 P42574 2/20 0.43
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
ABCB1 P08183 1/20 0.39
MEN1 O00255 1/20 0.39
MMP14 P50281 1/20 0.39
KMT2A Q03164 1/20 0.39
RPS6KA2 Q15349 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
MAPK14 Q16539 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
BTK Q06187 1/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL18171028 0.89 KDR (0.55) KDRCASP3CCNE2CCNE1CDK2
SCHEMBL18170883 0.88 KDR (0.56) KDRCASP3RAB9AABCB1MEN1
SCHEMBL18170956 0.87 KDR (0.56) KDRCASP3RAB9AMEN1MMP14
SCHEMBL18170676 0.86 KDR (0.54) KDRCASP3CCNE2CCNE1CDK2
SCHEMBL18170711 0.86 KDR (0.54) KDRCASP3SMN1; SMN2MEN1KMT2A
SCHEMBL18170536 0.85 CASP3 (0.47) KDRCASP3RAB9ASMN1; SMN2KMT2A
SCHEMBL18170887 0.85 KDR (0.55) KDRCASP3RAB9AMEN1MMP14
SCHEMBL18170648 0.85 KDR (0.56) KDRCASP3RAB9ASMN1; SMN2MEN1
SCHEMBL18170974 0.83 KDR (0.43) KDRSMN1; SMN2RPS6KA2
SCHEMBL18170900 0.83 KDR (0.55) KDRRAB9ASMN1; SMN2MEN1KMT2A

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 2056/4885RAB9A 2823/4885

“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.