SCHEMBL18170498

SCHEMBL18170498

O=C(Nc1ccc(-c2ccccc2Cl)c2c1C(=O)NC2)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.56
CASP3 P42574 2/20 0.47
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 2/20 0.45
MEN1 O00255 1/20 0.45
MMP14 P50281 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
GRM4 Q14833 1/20 0.40
SERPINE1 P05121 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL18170692 0.92 KDR (0.56) KDRCASP3HSP90AA1HSP90AB1MEN1
SCHEMBL18170831 0.90 KDR (0.55) KDRCASP3HSP90AA1HSP90AB1MEN1
SCHEMBL18170830 0.90 KDR (0.56) KDRCASP3MEN1KMT2ATP53
SCHEMBL18170497 0.89 KDR (0.58) KDRMEN1KMT2ACYP1A2TSHR
SCHEMBL18170883 0.86 KDR (0.56) KDRCASP3MEN1MMP14KMT2A
SCHEMBL18171022 0.86 KDR (0.62) KDRCASP3MEN1MMP14KMT2A
SCHEMBL18170887 0.86 KDR (0.55) KDRCASP3MEN1MMP14KMT2A
SCHEMBL18171025 0.85 KDR (0.69) KDRCASP3HSP90AA1HSP90AB1MEN1
SCHEMBL18170451 0.85 KDR (0.66) KDRCASP3HSP90AA1HSP90AB1MEN1
SCHEMBL18170926 0.85 KDR (0.63) KDRCASP3HSP90AA1HSP90AB1MEN1

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 2056/4885HSP90AA1 2560/4885

“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.