SCHEMBL18170863

SCHEMBL18170863

O=C(Nc1ccc(Nc2ccccc2)c2c1C(=O)NC2)c1ccc(NCCCN2CCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.45
KCNH2 Q12809 8/20 0.45
KDR P35968 1/20 0.44
HDAC1 Q13547 1/20 0.42
NAMPT P43490 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
MCHR1 Q99705 2/20 0.39
TNIK Q9UKE5 1/20 0.38
OPRL1 P41146 1/20 0.38
MCHR2 Q969V1 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 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
SCHEMBL18171026 0.99 CHRNA7 (0.47) CHRNA7KCNH2KDRHDAC1NAMPT
Hydrochloric Acid SCHEMBL18170815 0.98 CHRNA7 (0.46) CHRNA7KCNH2KDRHDAC1NAMPT
SCHEMBL18170490 0.95 KDR (0.45) CHRNA7KCNH2KDRPOLBTNIK
SCHEMBL18170837 0.94 KDR (0.45) CHRNA7KCNH2KDRNAMPTPOLB
SCHEMBL18170541 0.94 KDR (0.45) CHRNA7KCNH2KDRNAMPTPOLB
SCHEMBL18170514 0.93 KDR (0.45) CHRNA7KCNH2KDRHDAC1POLB
Hydrochloric Acid SCHEMBL18170880 0.93 KDR (0.44) CHRNA7KCNH2KDRNAMPTPOLB
SCHEMBL18170604 0.92 POLB (0.51) CHRNA7KCNH2KDRNAMPTMAPT
SCHEMBL18170508 0.91 KDR (0.51) CHRNA7KCNH2KDRMAPTPIK3CD
SCHEMBL18170823 0.90 MAPT (0.46) CHRNA7KCNH2KDRHDAC1MAPT

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 CHRNA7 2197/4885KCNH2 2704/4885KDR 1662/4885

“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.