SCHEMBL18170510

SCHEMBL18170510

CN(C)c1ccc(-c2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.66
SNCA P37840 1/20 0.44
KCNK3 O14649 1/20 0.44
CASP3 P42574 1/20 0.41
KIT P10721 1/20 0.41
SRC P12931 1/20 0.41
FLT3 P36888 1/20 0.41
ITK Q08881 1/20 0.41
HDAC1 Q13547 1/20 0.40
RAB9A P51151 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
MEN1 O00255 1/20 0.40
MMP14 P50281 1/20 0.40
KMT2A Q03164 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
SCHEMBL18170607 0.96 KDR (0.60) KDRSNCAKCNK3CASP3KIT
SCHEMBL18171025 0.89 KDR (0.69) KDRCASP3ITKHDAC1MEN1
SCHEMBL18170848 0.89 KDR (0.62) KDRRAB9AMEN1KMT2A
SCHEMBL18170547 0.89 KDR (0.62) KDRKCNK3CASP3FLT3RAB9A
SCHEMBL18171021 0.88 KDR (0.75) KDRCASP3FLT3ITKRAB9A
SCHEMBL18170695 0.87 KDR (0.68) KDRCASP3MEN1MMP14KMT2A
SCHEMBL18170534 0.86 KDR (0.67) KDRCASP3RAB9AMEN1KMT2A
SCHEMBL18170451 0.86 KDR (0.66) KDRCASP3MEN1KMT2A
SCHEMBL18170598 0.86 KDR (0.66) KDRCASP3HDAC1RAB9AMEN1
SCHEMBL18170772 0.85 KDR (0.66) KDRCASP3KMT2A

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 1662/4885SNCA 2251/4885KCNK3 726/4885

“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.