SCHEMBL18170610

SCHEMBL18170610

Cc1cccc(Nc2ccc(NC(=O)c3ccc(NCCN4CCCCC4)cc3)c3c2CNC3=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.41
TNIK Q9UKE5 1/20 0.39
LCK P06239 2/20 0.39
MAPK14 Q16539 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
SRC P12931 1/20 0.38
RCE1 Q9Y256 1/20 0.36
CACNA1G O43497 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL18171033 0.99 KDR (0.42) KDRTNIKLCKMAPK14SMN1; SMN2
SCHEMBL18171027 0.95 CHRNA7 (0.41) KDRMAPK14SMN1; SMN2MAPTLMNA
SCHEMBL18170645 0.94 KDR (0.41) KDRMAPK14SMN1; SMN2MAPTLMNA
SCHEMBL18170577 0.94 KDR (0.42) KDRTNIKSMN1; SMN2MAPTLMNA
SCHEMBL18170854 0.93 KDR (0.43) KDRTNIKSMN1; SMN2MAPTLMNA
SCHEMBL18170660 0.89 CHRNA7 (0.42) KDRMAPK14MAPTKMT2A
SCHEMBL18170875 0.88 KDR (0.42) KDRMAPK14SMN1; SMN2MAPTKMT2A
SCHEMBL18170953 0.88 KDR (0.51) KDRTNIKLCKSMN1; SMN2MAPT
SCHEMBL18170469 0.87 TNIK (0.42) KDRTNIKSMN1; SMN2MAPTCACNA1G
SCHEMBL18170552 0.87 KDR (0.52) KDRTNIKLCKMAPTRAB9A

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 1/4885LCK 344/4885

“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.