SCHEMBL18170816

SCHEMBL18170816

COc1cccc(-c2ccc(NC(=O)c3cccs3)c3c2CN(C(=O)c2cccs2)C3=O)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.47
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 3/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL18170737 0.81 APLNR (0.50) APLNRMEN1KMT2ALMNAALDH1A1
SCHEMBL18170629 0.79 KDM4E (0.45) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL17295044 0.67 APLNR (1.00) APLNRMEN1KMT2ALMNAALDH1A1
SCHEMBL18171028 0.66 KDR (0.55) MEN1KMT2AMAPTKDM4EHSD17B10
SCHEMBL6367428 0.65 MAPK1 (0.55) APLNRMEN1KMT2ALMNAALDH1A1
SCHEMBL18170536 0.64 CASP3 (0.47) KMT2AALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL21880936 0.63 MAPT (0.78) APLNRMEN1KMT2AALDH1A1MAPT
SCHEMBL18170933 0.63 KDM4E (0.47) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL18170669 0.63 ATM (0.46) MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL18170579 0.62 CASP3 (0.53) MEN1KMT2AALDH1A1RXFP1KDM4E

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

“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.