SCHEMBL18170971

SCHEMBL18170971

Cc1ccc(C)c(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.64
KCNMA1 Q12791 1/20 0.46
CASP3 P42574 1/20 0.45
S1PR4 O95977 1/20 0.44
CYP1A2 P05177 2/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
MAPK14 Q16539 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 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
SCHEMBL18170844 0.92 KDR (0.65) KDRKCNMA1CASP3CYP1A2MAPT
SCHEMBL18171022 0.90 KDR (0.62) KDRKCNMA1CASP3CYP1A2MAPT
SCHEMBL18171021 0.87 KDR (0.75) KDRKCNMA1CASP3MAPT
SCHEMBL18170742 0.86 KDR (0.59) KDRKCNMA1CASP3CYP1A2MAPT
SCHEMBL18170637 0.86 KDR (0.68) KDRCASP3CYP1A2MAPTCYP2C9
SCHEMBL18170622 0.86 KDR (0.71) KDRKCNMA1CASP3CYP1A2MAPT
SCHEMBL18170958 0.85 KDR (0.64) KDRKCNMA1CASP3CYP1A2MAPT
SCHEMBL18170853 0.85 KDR (0.75) KDRKCNMA1CASP3POLBMEN1
SCHEMBL18170878 0.85 KDR (0.61) KDRCASP3CYP1A2MAPTCYP2C9
SCHEMBL18170569 0.84 KDR (0.69) KDRKCNMA1CASP3POLBMEN1

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 7 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-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
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 1662/4885KCNMA1 1525/4885CASP3 2056/4885

“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.