SCHEMBL18170726

SCHEMBL18170726

O=C(Nc1ccc(-c2ccccc2)c2c1C(=O)NC2)c1ccc(F)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.58
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACLY P53396 1/20 0.43
GRM5 P41594 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
BTK Q06187 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TP53 P04637 1/20 0.40
MAP3K9 P80192 1/20 0.39
MAP3K11 Q16584 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
SERPINE1 P05121 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
SCHEMBL18170609 0.89 KDR (0.63) KDRHDAC1HDAC8HDAC6BTK
SCHEMBL18170664 0.88 KDR (0.61) KDRMEN1KMT2AHDAC1
SCHEMBL18170588 0.87 KDR (0.63) KDRMEN1KMT2AHDAC1
SCHEMBL18171025 0.86 KDR (0.69) KDRMEN1KMT2AHDAC1MAP3K9
SCHEMBL18170459 0.86 KDR (0.61) KDRMEN1KMT2ATP53SERPINE1
SCHEMBL18170740 0.85 KDR (0.63) KDRMEN1KMT2ASERPINE1
SCHEMBL18170820 0.85 KDR (0.58) KDRMEN1KMT2AHDAC1HDAC8
SCHEMBL18170968 0.85 KDR (0.63) KDRMEN1KMT2AHDAC1HDAC8
SCHEMBL18170566 0.84 KDR (0.75) KDRMEN1KMT2AAURKAAURKB
SCHEMBL18170598 0.84 KDR (0.66) KDRMEN1KMT2AHDAC1

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 1662/4885MEN1 1064/4885KMT2A 1369/4885

“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.