SCHEMBL18171018

SCHEMBL18171018

O=C(Nc1ccc(-c2ccccc2)c2c1C(=O)NC2=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.59
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MMP14 P50281 1/20 0.53
CYP1A2 P05177 1/20 0.48
TSHR P16473 1/20 0.48
CA12 O43570 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
HDAC2 Q92769 4/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC3 O15379 2/20 0.47
MAPK1 P28482 1/20 0.46
KDR P35968 1/20 0.46
SERPINE1 P05121 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL18170943 0.81 CASP3 (0.54) CASP3MEN1KMT2AMMP14CYP1A2
SCHEMBL18171025 0.79 KDR (0.69) CASP3MEN1KMT2AMMP14CYP1A2
SCHEMBL18170579 0.77 CASP3 (0.53) CASP3MEN1KMT2AMMP14CYP1A2
SCHEMBL18170862 0.77 KDR (0.56) CASP3MEN1KMT2AMMP14CYP1A2
SCHEMBL12857945 0.74 CASP3 (1.00) CASP3MEN1KMT2ACA12CA2
SCHEMBL10799032 0.74 CYP1A2 (0.64) CASP3MEN1KMT2AMMP14CYP1A2
SCHEMBL18170740 0.74 KDR (0.63) CASP3MEN1KMT2ACA12CA2
SCHEMBL18170459 0.74 KDR (0.61) MEN1KMT2ACA12CA2CA9
SCHEMBL18170451 0.74 KDR (0.66) CASP3MEN1KMT2AKDRSERPINE1
SCHEMBL6419867 0.73 MEN1 (0.82) CASP3MEN1KMT2AMMP14CYP1A2

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-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 2056/4885MEN1 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.