SCHEMBL18170894

SCHEMBL18170894

O=C(Nc1ccc(-c2ccccc2)c2c1C(=O)NC2)c1sccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.50
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
F10 P00742 2/20 0.40
PRSS12 P56730 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAP3K9 P80192 1/20 0.36
MAP3K11 Q16584 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL18170700 0.88 KDR (0.55) KDRKMT2AMEN1ALDH1A1PKM
SCHEMBL18170512 0.88 KDR (0.50) KDRCLK1CLK2CLK3MAP3K9
SCHEMBL18170741 0.83 KDR (0.53) KDRCLK1CLK2CLK3CASP3
SCHEMBL18170754 0.82 KDR (0.52) KDRCASP3SENP8SENP7SENP6
SCHEMBL18171025 0.81 KDR (0.69) KDRCLK1CLK2CLK3CASP3
SCHEMBL18170459 0.81 KDR (0.61) KDRCLK1CLK2CLK3KMT2A
SCHEMBL18170820 0.80 KDR (0.58) KDRCLK1CLK2CLK3KMT2A
SCHEMBL18170662 0.80 KDR (0.51) KDRCLK1CLK2CLK3PRSS12
SCHEMBL18170580 0.79 KDR (0.58) KDRCLK1CLK2CLK3MAP3K9
SCHEMBL18170671 0.79 KDR (0.52) KDRCLK1CLK2CLK3KMT2A

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 1662/4885CLK1 472/4885CLK2 261/4885

“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.