SCHEMBL18170710

SCHEMBL18170710

CSc1ccc(C(=O)Nc2ccc(-c3ccccc3)c3c2C(=O)NC3)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.60
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
CCKAR P32238 1/20 0.40
CCKBR P32239 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CASP3 P42574 1/20 0.39
MEN1 O00255 1/20 0.37
MMP14 P50281 1/20 0.37
KMT2A Q03164 1/20 0.37
PLK1 P53350 1/20 0.37
MAP3K9 P80192 1/20 0.37
MAP3K11 Q16584 1/20 0.37

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
SCHEMBL18170564 0.96 KDR (0.66) KDRCA12CA2CA9PPARG
SCHEMBL18171025 0.89 KDR (0.69) KDRCA12CA2CA9HDAC1
SCHEMBL18170522 0.89 KDR (0.62) KDRNR1H4CASP3
SCHEMBL18170569 0.88 KDR (0.69) KDRCA12CA2CA9CASP3
SCHEMBL18170653 0.86 KDR (0.67) KDRCA12CA2CA9CASP3
SCHEMBL18170459 0.86 KDR (0.61) KDRCA12CA2CA9MEN1
SCHEMBL18170664 0.86 KDR (0.61) KDRCA12CA2CA9HDAC1
SCHEMBL18170607 0.85 KDR (0.60) KDRCA12CA2CA9CASP3
SCHEMBL18170505 0.85 KDR (0.60) KDRHDAC1HDAC8HDAC6MEN1
SCHEMBL18170623 0.85 KDR (0.68) KDRHDAC1MEN1KMT2A

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 1662/4885CA12 2888/4885CA2 2104/4885

“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.