SCHEMBL18170786

SCHEMBL18170786

CC(=O)Nc1ccccc1-c1[c]c2cc[nH]c2nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
PARP14 Q460N5 4/20 0.41
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 1/20 0.38
HPGD P15428 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
BTK Q06187 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL2601272 0.72 CCNK (0.47) ALDH1A1PARP14KDM4ESMN1; SMN2MAOA
SCHEMBL18170739 0.70 CDK8 (0.47) DAPK3JAK2PRKD3MAP4K4PAK4
SCHEMBL2098077 0.70 NUDT1 (0.60) ALDH1A1PARP14BTKDAPK3JAK2
SCHEMBL2601264 0.69 JAK3 (0.68) ALDH1A1PARP14CYP2C9BTKDAPK3
SCHEMBL12471811 0.69 ALDH1A1 (0.48) ALDH1A1PARP14KDM4ESMN1; SMN2MAOA
SCHEMBL6326388 0.69 ALDH1A1 (0.65) ALDH1A1PARP14KDM4ESMN1; SMN2MAOA
SCHEMBL10966556 0.66 ALDH1A1 (0.53) ALDH1A1PARP14KDM4ESMN1; SMN2MAOA
SCHEMBL3754759 0.66 ALDH1A1 (0.47) ALDH1A1PARP14KDM4ESMN1; SMN2MAOA
SCHEMBL5623725 0.65 ALDH1A1 (0.71) ALDH1A1PARP14KDM4ESMN1; SMN2MAOA
SCHEMBL10549928 0.64 ALDH1A1 (0.55) ALDH1A1PARP14KDM4ESMN1; SMN2MAOA

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 4 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

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 ALDH1A1 4760/4885PARP14 3037/4885KDM4E 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.