SCHEMBL18170465

SCHEMBL18170465

CN1CCN(CCNc2ccc(C(=O)Nc3ccc(Nc4ccccc4)c4c3C(=O)NC4)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.46
NAMPT P43490 1/20 0.40
BRAF P15056 2/20 0.40
MAPK14 Q16539 2/20 0.39
HDAC1 Q13547 1/20 0.39
TYK2 P29597 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
EGFR P00533 2/20 0.38
EPHX2 P34913 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
LYN P07948 1/20 0.38
SRC P12931 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL18170514 0.95 KDR (0.45) KDRBRAFMAPK14HDAC1TYK2
SCHEMBL18170490 0.93 KDR (0.45) KDRTYK2EPHX2SMN1; SMN2POLB
SCHEMBL18170541 0.92 KDR (0.45) KDRNAMPTTYK2EPHX2ALDH1A1
SCHEMBL18170837 0.92 KDR (0.45) KDRNAMPTTYK2EPHX2ALDH1A1
Hydrochloric Acid SCHEMBL18170880 0.91 KDR (0.44) KDRNAMPTTYK2EPHX2ALDH1A1
SCHEMBL18170799 0.90 EPHX2 (0.50) KDRMAPK14EPHX2ALDH1A1POLB
SCHEMBL18170944 0.89 KDR (0.56) KDRBRAFMAPK14HDAC1HDAC2
SCHEMBL18170863 0.88 CHRNA7 (0.45) KDRNAMPTHDAC1POLB
SCHEMBL18171026 0.87 CHRNA7 (0.47) KDRNAMPTHDAC1TYK2POLB
Hydrochloric Acid SCHEMBL18170815 0.86 CHRNA7 (0.46) KDRNAMPTHDAC1TYK2POLB

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 1662/4885NAMPT 2189/4885BRAF 341/4885

“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.