SCHEMBL18170737

SCHEMBL18170737

COc1cccc(-c2ccc(NC(=O)c3cccs3)c3c2CNC3=O)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.50
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 3/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDR P35968 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL18171028 0.85 KDR (0.55) KMT2AMEN1MAPTKDRKDM4E
SCHEMBL18170536 0.83 CASP3 (0.47) KMT2ASMN1; SMN2GAARAB9ACYP3A4
SCHEMBL18170933 0.81 KDM4E (0.47) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL18170816 0.81 APLNR (0.47) APLNRKMT2AMEN1LMNAMAPT
SCHEMBL18170754 0.79 KDR (0.52) APLNRKMT2AMEN1LMNAMAPT
SCHEMBL18170882 0.78 KDR (0.47) KMT2AMEN1MAPTGAAPOLB
SCHEMBL18170759 0.78 KDR (0.49) KMT2AMEN1MAPTSMN1; SMN2GAA
SCHEMBL18170711 0.78 KDR (0.54) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL18170774 0.77 ALDH1A1 (0.46) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL18170648 0.76 KDR (0.56) KMT2AMEN1MAPTSMN1; SMN2GAA

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 APLNR 3107/4885KMT2A 1369/4885MEN1 1064/4885

“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.