SCHEMBL18170770

SCHEMBL18170770

COc1cccc(Nc2ccc(NC(=O)c3ccc(NCCCN4CCCC4)cc3)c3c2CNC3=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SLC2A1 P11166 1/20 0.47
HTT P42858 1/20 0.43
RAD52 P43351 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
KMT2A Q03164 1/20 0.42
CDK5R1 Q15078 1/20 0.42
TERT O14746 1/20 0.42
KDR P35968 2/20 0.42
ALOX15 P16050 1/20 0.41
MCHR1 Q99705 2/20 0.41
LMNA P02545 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
HSD17B10 Q99714 1/20 0.41
F10 P00742 2/20 0.41
MCHR2 Q969V1 1/20 0.41

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
SCHEMBL18171032 0.99 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1SLC2A1HTT
SCHEMBL18170955 0.96 TERT (0.43) MAPTSMN1; SMN2ALDH1A1SLC2A1RAD52
SCHEMBL18170727 0.95 HSD17B10 (0.43) MAPTSMN1; SMN2ALDH1A1SLC2A1RAD52
SCHEMBL18170508 0.91 KDR (0.51) MAPTALDH1A1KDRRAB9A
SCHEMBL18170761 0.91 KDR (0.50) MAPTSMN1; SMN2ALDH1A1KDRRAB9A
SCHEMBL18170823 0.89 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1RAD52KMT2A
SCHEMBL18170863 0.89 CHRNA7 (0.45) MAPTKDRMCHR1MCHR2
SCHEMBL18170683 0.88 SMN1; SMN2 (0.50) MAPTSMN1; SMN2ALDH1A1MCHR1F10
SCHEMBL18170930 0.88 MAPT (0.45) MAPTALDH1A1RAD52KMT2AKDR
SCHEMBL18171026 0.88 CHRNA7 (0.47) MAPTKDRMCHR1MCHR2

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 MAPT 1133/4885SMN1; SMN2 878/4885ALDH1A1 4760/4885

“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.