SCHEMBL18170771

SCHEMBL18170771

CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3ccc(F)cc3)c3c2C(=O)NC3)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.61
HDAC1 Q13547 3/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
PTPN1 P18031 2/20 0.45
CASP3 P42574 1/20 0.43
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
NTRK1 P04629 1/20 0.41
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
MET P08581 1/20 0.41
PIM1 P11309 1/20 0.41
FLT1 P17948 1/20 0.41
RPS6KB1 P23443 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
SCHEMBL18170623 0.90 KDR (0.68) KDRHDAC1PLK4AURKAROCK2
SCHEMBL18170898 0.88 KDR (0.59) KDR
SCHEMBL18170598 0.86 KDR (0.66) KDRHDAC1HDAC2CASP3
SCHEMBL18170664 0.86 KDR (0.61) KDRHDAC1HDAC2CASP3
SCHEMBL18170800 0.86 KDR (0.54) KDRCASP3
SCHEMBL18170647 0.81 KDR (0.54) KDRCASP3
SCHEMBL18170695 0.81 KDR (0.68) KDRHDAC2CASP3
SCHEMBL18170653 0.80 KDR (0.67) KDRCASP3PLK4AURKAROCK2
SCHEMBL18170474 0.80 KDR (0.54) KDRHDAC1HDAC3HDAC2NCOR2
SCHEMBL18170638 0.80 KDR (0.56) KDRHDAC1

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 7 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-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
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 1662/4885HDAC1 2587/4885HDAC3 3004/4885

“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.