SCHEMBL18170642

SCHEMBL18170642

N#Cc1ccccc1-c1ccc(NC(=O)c2ccccc2)c2c1CNC2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.55
CASP3 P42574 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
MMP14 P50281 1/20 0.44
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
BTK Q06187 1/20 0.39
RPS6KA2 Q15349 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HDAC1 Q13547 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
STK33 Q9BYT3 1/20 0.37
PARP14 Q460N5 1/20 0.37
ACE2 Q9BYF1 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
SCHEMBL18171046 0.85 KDR (0.63) KDRCASP3KMT2AMEN1MMP14
SCHEMBL18170883 0.84 KDR (0.56) KDRCASP3KMT2AMEN1MMP14
SCHEMBL18171022 0.84 KDR (0.62) KDRCASP3KMT2AMEN1MMP14
SCHEMBL18170498 0.84 KDR (0.56) KDRCASP3KMT2AMEN1MMP14
SCHEMBL18171025 0.83 KDR (0.69) KDRCASP3KMT2AMEN1MMP14
SCHEMBL18170781 0.83 KDR (0.58) KDRCASP3KMT2AMEN1CA12
SCHEMBL18171041 0.82 KDR (0.57) KDRCASP3KMT2AMEN1MMP14
SCHEMBL18170731 0.82 KDR (0.57) KDRCASP3KMT2AMEN1MMP14
SCHEMBL18170558 0.82 KDR (0.60) KDRCASP3KMT2ACYP1A2TSHR
SCHEMBL18170596 0.81 KDR (0.56) KDRCASP3KMT2AMEN1MMP14

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 KDR 1662/4885CASP3 2056/4885KMT2A 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.