SCHEMBL18170955

SCHEMBL18170955

COc1cccc(Nc2ccc(NC(=O)c3ccc(NCCN4CCCC4)cc3)c3c2CNC3=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.43
KDR P35968 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SLC2A1 P11166 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
F10 P00742 2/20 0.41
TNIK Q9UKE5 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
RPS6KA2 Q15349 1/20 0.41
MITF O75030 1/20 0.40
RAD52 P43351 1/20 0.40
KMT2A Q03164 1/20 0.40
CACNA1G O43497 1/20 0.40

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
SCHEMBL18170727 0.99 HSD17B10 (0.43) TERTKDRSMN1; SMN2ALDH1A1MAPT
SCHEMBL18170770 0.96 MAPT (0.47) TERTKDRSMN1; SMN2ALDH1A1MAPT
SCHEMBL18171032 0.95 MAPT (0.46) TERTKDRSMN1; SMN2ALDH1A1MAPT
SCHEMBL18170552 0.90 KDR (0.52) KDRALDH1A1MAPTTNIKRAB9A
SCHEMBL18170953 0.90 KDR (0.51) KDRSMN1; SMN2ALDH1A1MAPTTNIK
SCHEMBL18170626 0.88 KDR (0.42) KDRALDH1A1MAPTTNIKLMNA
SCHEMBL18170490 0.88 KDR (0.45) KDRSMN1; SMN2TNIKPOLBKMT2A
SCHEMBL18170508 0.87 KDR (0.51) KDRALDH1A1MAPTRAB9A
SCHEMBL18170658 0.87 SMN1; SMN2 (0.51) KDRSMN1; SMN2ALDH1A1MAPTRPS6KA2
SCHEMBL18170631 0.87 ALDH1A1 (0.43) KDRALDH1A1MAPTTNIKNPC1

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 TERT 1799/4885KDR 1662/4885SMN1; SMN2 878/4885

“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.