SCHEMBL18170926

SCHEMBL18170926

O=C(Nc1ccc(-c2cc(Cl)cc(Cl)c2)c2c1C(=O)NC2)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.63
MAPT P10636 1/20 0.46
SSTR2 P30874 1/20 0.44
KCNH2 Q12809 1/20 0.44
SERPINE1 P05121 3/20 0.44
CASP3 P42574 1/20 0.44
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KCNMA1 Q12791 1/20 0.42
MEN1 O00255 1/20 0.42
MMP14 P50281 1/20 0.42
KMT2A Q03164 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 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
SCHEMBL18170712 0.92 KDR (0.63) KDRMAPTSERPINE1CASP3KDM4E
SCHEMBL18170451 0.91 KDR (0.66) KDRMAPTSERPINE1CASP3KDM4E
SCHEMBL18171025 0.89 KDR (0.69) KDRCASP3CYP1A2TSHRMEN1
SCHEMBL18170459 0.89 KDR (0.61) KDRMAPTSERPINE1KDM4ENPSR1
SCHEMBL18170672 0.88 KDR (0.63) KDRSERPINE1CASP3CYP1A2TSHR
SCHEMBL18170740 0.88 KDR (0.63) KDRMAPTSERPINE1CASP3RXFP1
SCHEMBL18170622 0.88 KDR (0.71) KDRMAPTSSTR2CASP3CYP1A2
SCHEMBL18170976 0.88 KDR (0.62) KDRCASP3CYP1A2TSHRMEN1
SCHEMBL18170830 0.87 KDR (0.56) KDRMAPTSERPINE1CASP3KDM4E
SCHEMBL18170497 0.86 KDR (0.58) KDRMAPTSERPINE1CYP1A2TSHR

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 1662/4885MAPT 1133/4885SSTR2 3695/4885

“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.