SCHEMBL18170792

SCHEMBL18170792

COc1cccc(Nc2ccc(NC(=O)c3ccc(F)cc3)c3c2CNC3=O)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.47
NAMPT P43490 1/20 0.44
HTR1F P30939 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
KDR P35968 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MLYCD O95822 1/20 0.40
ATM Q13315 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL18170515 0.91 MLYCD (0.47) CASP3SMN1; SMN2KDM4ECYP1A2CYP2C19
SCHEMBL18170536 0.89 CASP3 (0.47) CASP3NAMPTHTR1FSMN1; SMN2KDM4E
SCHEMBL18170912 0.84 KDR (0.49) CASP3KDM4EKDRKMT2AMEN1
SCHEMBL18170616 0.83 KDR (0.49) CASP3SMN1; SMN2KDM4ECYP1A2CYP2C19
SCHEMBL18170925 0.83 CASP3 (0.47) CASP3HTR1FSMN1; SMN2KDM4EKDR
SCHEMBL18170467 0.83 MEN1 (0.48) CASP3SMN1; SMN2KDM4ECYP1A2CYP2C19
SCHEMBL18170472 0.83 CASP3 (0.47) CASP3SMN1; SMN2KDM4ECYP1A2CYP2C19
SCHEMBL18170669 0.81 ATM (0.46) CASP3NAMPTHTR1FSMN1; SMN2KDM4E
SCHEMBL18171017 0.81 MEN1 (0.48) CASP3HTR1FSMN1; SMN2CYP1A2CYP2C19
SCHEMBL18171028 0.80 KDR (0.55) CASP3NAMPTKDM4EKDRKMT2A

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 CASP3 2056/4885NAMPT 2189/4885HTR1F 4141/4885

“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.