SCHEMBL18170449

SCHEMBL18170449

O=C(Nc1ccc(-c2cccc3ncccc23)c2c1C(=O)NC2)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CASP3 P42574 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 2/20 0.46
PABPC1 P11940 2/20 0.46
KMT2A Q03164 2/20 0.46
EIF4H Q15056 2/20 0.46
KDR P35968 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
PARP1 P09874 1/20 0.41
STK33 Q9BYT3 1/20 0.41
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC1 Q13547 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 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
SCHEMBL18170620 0.93 KDR (0.45) CYP1A2CYP3A4CASP3HDAC6L3MBTL1
SCHEMBL18170748 0.83 KDR (0.42) HDAC6L3MBTL1MEN1PABPC1KMT2A
SCHEMBL18170717 0.83 CASP3 (0.45) CYP1A2CYP3A4CASP3MEN1KMT2A
SCHEMBL18170803 0.82 KDR (0.46) CASP3MEN1KMT2AKDRSMN1; SMN2
SCHEMBL18170619 0.81 KDR (0.49) CASP3PABPC1KDRHDAC1NPC1
SCHEMBL18170951 0.81 CASP3 (0.51) CYP1A2CYP3A4CASP3MEN1KMT2A
SCHEMBL18170812 0.80 CASP3 (0.48) CYP1A2CYP3A4CASP3MEN1KMT2A
SCHEMBL18170664 0.79 KDR (0.61) CYP1A2CYP3A4CASP3L3MBTL1MEN1
SCHEMBL18170616 0.79 KDR (0.49) CYP1A2CYP3A4CASP3MEN1KMT2A
SCHEMBL18170536 0.78 CASP3 (0.47) CYP1A2CYP3A4CASP3KMT2AKDR

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 CYP1A2 3442/4885CYP3A4 4292/4885CASP3 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.