SCHEMBL18170577

SCHEMBL18170577

Cc1ccccc1Nc1ccc(NC(=O)c2ccc(NCCN3CCCCC3)cc2)c2c1CNC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.42
TNIK Q9UKE5 1/20 0.42
MAPT P10636 1/20 0.40
CNR2 P34972 1/20 0.39
CACNA1G O43497 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
BRD4 O60885 1/20 0.38
JAK1 P23458 1/20 0.38
HDAC1 Q13547 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
RAF1 P04049 1/20 0.37
ARAF P10398 1/20 0.37
BRAF P15056 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SRC P12931 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
SCHEMBL18170854 0.99 KDR (0.43) KDRTNIKMAPTCNR2CACNA1G
SCHEMBL18170660 0.95 CHRNA7 (0.42) KDRMAPTCNR2KMT2AHDAC1
SCHEMBL18170875 0.94 KDR (0.42) KDRMAPTSMN1; SMN2KMT2AHDAC1
SCHEMBL18170610 0.94 KDR (0.41) KDRTNIKMAPTCACNA1GSMN1; SMN2
SCHEMBL18171033 0.93 KDR (0.42) KDRTNIKMAPTSMN1; SMN2MEN1
SCHEMBL18170469 0.90 TNIK (0.42) KDRTNIKMAPTCNR2CACNA1G
SCHEMBL18170837 0.90 KDR (0.45) KDRTNIKMEN1KMT2AJAK1
SCHEMBL18170541 0.90 KDR (0.45) KDRTNIKMEN1KMT2AJAK1
SCHEMBL18170860 0.90 SMN1; SMN2 (0.51) TNIKMAPTCNR2SMN1; SMN2MEN1
SCHEMBL18170828 0.89 AURKA (0.41) KDRTNIKMAPTCNR2CACNA1G

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 1662/4885TNIK 1/4885MAPT 1133/4885

“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.