SCHEMBL18170597

SCHEMBL18170597

CN1CCN(c2ccc(C(=O)Nc3ccc(-c4ccccc4)c4c3C(=O)NC4)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.56
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
F10 P00742 8/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
AURKA O14965 1/20 0.48
TTK P33981 1/20 0.48
AURKB Q96GD4 1/20 0.48
INCENP Q9NQS7 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
MAP4K1 Q92918 3/20 0.47
FLT3 P36888 1/20 0.46

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
SCHEMBL18170627 0.89 KDR (0.54) KDRNPC1RAB9AMAPK1HDAC3
SCHEMBL18170735 0.87 KDR (0.52) KDRHDAC3HDAC8MAP4K1FLT3
SCHEMBL18170852 0.86 F10 (0.53) NPC1RAB9AF10POLBHDAC3
SCHEMBL18171025 0.84 KDR (0.69) KDRAURKATTKAURKBINCENP
SCHEMBL18170944 0.84 KDR (0.56) KDRPOLBMAPK1HDAC8
SCHEMBL18170569 0.84 KDR (0.69) KDRNPC1RAB9APOLBAURKA
SCHEMBL18170801 0.82 KDR (0.54) KDRPOLBMAPK1
SCHEMBL18170653 0.82 KDR (0.67) KDRAURKAAURKBFLT3
SCHEMBL18170459 0.81 KDR (0.61) KDRNPC1RAB9AFLT3
SCHEMBL18170664 0.81 KDR (0.61) KDRNPC1RAB9APOLB

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 7 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-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
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 1662/4885NPC1 2005/4885RAB9A 2823/4885

“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.