SCHEMBL18170875

SCHEMBL18170875

Cc1ccccc1Nc1ccc(NC(=O)c2ccc(NCCCN3CCCC3)cc2)c2c1CNC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.42
CHRNA7 P36544 6/20 0.41
KCNH2 Q12809 6/20 0.41
MAPK14 Q16539 2/20 0.40
MAPT P10636 2/20 0.39
NAMPT P43490 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 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
SCHEMBL18170660 0.99 CHRNA7 (0.42) KDRCHRNA7KCNH2MAPK14MAPT
SCHEMBL18170854 0.95 KDR (0.43) KDRMAPTKMT2ASMN1; SMN2HDAC1
SCHEMBL18170577 0.94 KDR (0.42) KDRMAPTKMT2ASMN1; SMN2HDAC1
SCHEMBL18170645 0.94 KDR (0.41) KDRCHRNA7KCNH2MAPK14MAPT
SCHEMBL18171027 0.93 CHRNA7 (0.41) KDRCHRNA7KCNH2MAPK14MAPT
SCHEMBL18170863 0.90 CHRNA7 (0.45) KDRCHRNA7KCNH2MAPTNAMPT
SCHEMBL18170683 0.90 SMN1; SMN2 (0.50) CHRNA7KCNH2MAPTSMN1; SMN2
SCHEMBL18171026 0.89 CHRNA7 (0.47) KDRCHRNA7KCNH2MAPTNAMPT
SCHEMBL18170817 0.89 SMN1; SMN2 (0.49) CHRNA7KCNH2MAPTSMN1; SMN2
SCHEMBL18171033 0.89 KDR (0.42) KDRMAPK14MAPTKMT2ASMN1; SMN2

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 1662/4885CHRNA7 2197/4885KCNH2 2704/4885

“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.