SCHEMBL18170622

SCHEMBL18170622

Cc1cc(C)cc(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.71
KCNMA1 Q12791 1/20 0.44
HDAC2 Q92769 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
SSTR2 P30874 1/20 0.43
ROCK2 O75116 2/20 0.43
RET P07949 2/20 0.43
FLT1 P17948 2/20 0.43
EPHA2 P29317 2/20 0.43
FLT4 P35916 2/20 0.43
FLT3 P36888 2/20 0.43
AURKB Q96GD4 2/20 0.43
AXL P30530 1/20 0.43
FRK P42685 1/20 0.43
CASP3 P42574 1/20 0.43
TSHR P16473 1/20 0.42
ATM Q13315 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
SCHEMBL18170853 0.92 KDR (0.75) KDRKCNMA1HDAC2ROCK2RET
SCHEMBL18171021 0.90 KDR (0.75) KDRKCNMA1MAPTROCK2RET
SCHEMBL18171025 0.88 KDR (0.69) KDRHDAC2CYP1A2AURKBCASP3
SCHEMBL18170566 0.88 KDR (0.75) KDRHDAC2MAPTROCK2RET
SCHEMBL18170569 0.88 KDR (0.69) KDRKCNMA1ROCK2RETFLT1
SCHEMBL18170926 0.88 KDR (0.63) KDRKCNMA1CYP1A2MAPTSSTR2
SCHEMBL18170637 0.87 KDR (0.68) KDRCYP1A2MAPTCYP2C9CYP2C19
SCHEMBL18170976 0.87 KDR (0.62) KDRHDAC2CYP1A2CASP3TSHR
SCHEMBL18170844 0.87 KDR (0.65) KDRKCNMA1CYP1A2MAPTCYP2C9
SCHEMBL18170768 0.86 KDR (0.62) KDRHDAC2MAPT

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 1525/4885HDAC2 2231/4885

“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.