SCHEMBL18170961

SCHEMBL18170961

CC(=O)Nc1ccc(-c2ccccc2)c2c1C(=O)NC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.66
CSF1R P07333 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAP3K9 P80192 1/20 0.43
MAP3K11 Q16584 1/20 0.43
CASP3 P42574 1/20 0.43
CCNE2 O96020 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
MAOA P21397 1/20 0.43
ROCK2 O75116 2/20 0.42
RET P07949 2/20 0.42
FLT1 P17948 2/20 0.42
EPHA2 P29317 2/20 0.42

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
SCHEMBL18170746 0.92 KDR (0.58) KDRCSF1RKDM4EALDH1A1GAA
SCHEMBL18170580 0.89 KDR (0.58) KDRCSF1RMAP3K9MAP3K11ROCK2
SCHEMBL18170623 0.88 KDR (0.68) KDRCSF1RALDH1A1ROCK2RET
SCHEMBL18171025 0.86 KDR (0.69) KDRMAP3K9MAP3K11CASP3AURKB
SCHEMBL18170673 0.85 KDR (0.70) KDRCSF1RROCK2RETFLT1
SCHEMBL18170775 0.85 KDR (0.68) KDRCSF1RROCK2RETFLT1
SCHEMBL18170721 0.84 KDR (0.64) KDRCSF1RROCK2RETFLT1
SCHEMBL18170587 0.84 KDR (0.54) KDRCSF1RALDH1A1MAP3K9MAP3K11
SCHEMBL18170751 0.84 KDR (0.54) KDRCSF1RGAAMAP3K9MAP3K11
SCHEMBL18170808 0.83 KDR (0.58) KDRALDH1A1HPGDROCK2RET

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 1662/4885CSF1R 2206/4885KDM4E 2051/4885

“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.