SCHEMBL18170974

SCHEMBL18170974

COc1c(F)cccc1-c1ccc(NC(=O)c2ccc(NCCN3CCCC3)cc2)c2c1CNC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.43
CHRNA7 P36544 2/20 0.38
KCNH2 Q12809 2/20 0.38
CHRNA1 P02708 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RPS6KA2 Q15349 1/20 0.37
MCHR1 Q99705 1/20 0.37
CACNA1G O43497 2/20 0.36
POLB P06746 1/20 0.36
F10 P00742 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
BCL3 P20749 1/20 0.36
PARP1 P09874 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 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
SCHEMBL18170829 0.92 KDR (0.43) KDRCHRNA7KCNH2CHRNA1CYP3A4
SCHEMBL18170843 0.92 KDR (0.43) KDRCHRNA7KCNH2CHRNA1CYP3A4
Hydrochloric Acid SCHEMBL18170861 0.92 KDR (0.43) KDRCHRNA7KCNH2CHRNA1CYP3A4
SCHEMBL18171034 0.92 KDR (0.43) KDRCHRNA7KCNH2CHRNA1CYP3A4
SCHEMBL18170565 0.90 KDR (0.44) KDRCACNA1GALDH1A1JAK2JAK1
Hydrochloric Acid SCHEMBL18170910 0.89 KDR (0.44) KDRCACNA1GALDH1A1JAK2JAK1
SCHEMBL18170557 0.88 SMN1; SMN2 (0.47) KDRCHRNA7KCNH2CHRNA1CYP3A4
SCHEMBL18170606 0.88 KDR (0.42) KDRCHRNA7KCNH2CHRNA1CYP3A4
SCHEMBL18170865 0.88 SMN1; SMN2 (0.47) KDRCHRNA7KCNH2CHRNA1CYP3A4
SCHEMBL18170719 0.88 SMN1; SMN2 (0.47) KDRCHRNA7KCNH2CHRNA1CYP3A4

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.