SCHEMBL18170450

SCHEMBL18170450

CN(C)CCCNc1ccc(C(=O)Nc2ccc(Br)c3c2C(=O)NC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 3/20 0.42
KDR P35968 3/20 0.41
PLK1 P53350 3/20 0.39
NAMPT P43490 4/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAOA P21397 1/20 0.37
CNR1 P21554 1/20 0.37
DRD4 P21917 1/20 0.37
ACHE P22303 1/20 0.37
HRH2 P25021 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MAPK1 P28482 1/20 0.37
NTSR1 P30989 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SCN1A P35498 1/20 0.37
HTR2B P41595 1/20 0.37
SCN7A Q01118 1/20 0.37

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
SCHEMBL18170728 0.94 KDR (0.42) TOP2BKDRPLK1NAMPTLMNA
SCHEMBL18170458 0.86 KDR (0.47) TOP2BKDRPLK1NAMPTCYP1A2
SCHEMBL18170763 0.85 KDR (0.57) TOP2BKDRPLK1NAMPTTERT
SCHEMBL18170889 0.84 KDR (0.49) TOP2BKDRPLK1NAMPTTERT
SCHEMBL18170745 0.83 CHRNA7 (0.44) KDRPLK1NAMPTKCNH2
SCHEMBL18170850 0.82 KDR (0.46) TOP2BKDRTERTHDAC8HDAC6
SCHEMBL18170471 0.82 KDR (0.46) TOP2BKDRPLK1NAMPTLMNA
SCHEMBL18170500 0.82 CHRNA7 (0.45) KDRNAMPTCYP1A2KCNH2
SCHEMBL18170436 0.81 EPHX2 (0.41) KDRNAMPTCYP1A2KCNH2PARP1
SCHEMBL18170701 0.80 CYP1A2 (0.41) KDRNAMPTCYP1A2KCNH2KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TOP2B 866/4885KDR 1662/4885PLK1 351/4885

“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.