SCHEMBL18170695

SCHEMBL18170695

CC(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.68
HDAC2 Q92769 2/20 0.47
CASP3 P42574 1/20 0.43
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
MMP14 P50281 1/20 0.41
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL18171025 0.91 KDR (0.69) KDRHDAC2CASP3CA12CA2
SCHEMBL18171021 0.90 KDR (0.75) KDRCASP3
SCHEMBL18170934 0.89 KDR (0.68) KDRHDAC2CASP3CA12CA2
SCHEMBL18170772 0.89 KDR (0.66) KDRCASP3KMT2ATSHR
SCHEMBL18170551 0.88 KDR (0.55) KDRCA12CA2CA9KMT2A
SCHEMBL18170534 0.88 KDR (0.67) KDRCASP3KMT2AMEN1
SCHEMBL18170451 0.88 KDR (0.66) KDRCASP3KMT2AMEN1
SCHEMBL18170598 0.88 KDR (0.66) KDRHDAC2CASP3KMT2AMEN1
SCHEMBL18170569 0.88 KDR (0.69) KDRCASP3CA12CA2CA9
SCHEMBL18170510 0.87 KDR (0.66) 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 1662/4885HDAC2 2231/4885CASP3 2056/4885

“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.