SCHEMBL18170892

SCHEMBL18170892

Fc1ccccc1Nc1ccn[c]n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.50
AURKA O14965 2/20 0.48
MAPK8 P45983 1/20 0.42
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
RAB9A P51151 5/20 0.37
NPC1 O15118 3/20 0.37
KDM4E B2RXH2 4/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
GFER P55789 1/20 0.36
TNNI3K Q59H18 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL18171030 0.76 MAPT (0.58) MAPK10AURKAMAPTMEN1KMT2A
SCHEMBL1887001 0.74 MAPT (0.47) AURKAMAPTMEN1KMT2ARAB9A
SCHEMBL28918206 0.73 MAPK10 (0.47) MAPK10AURKAMAPK8MAPTMEN1
SCHEMBL4623280 0.71 DHFR (0.40) MAPK10MAPTMEN1KMT2AKDM4E
SCHEMBL7341519 0.71 MAPK10 (0.73) MAPK10AURKAMAPK8MAPTMEN1
SCHEMBL29796528 0.71 MAPK10 (0.73) MAPK10AURKAMAPK8MAPTMEN1
SCHEMBL27998656 0.70 MAPK10 (0.56) MAPK10AURKAMAPK8MAPTMEN1
SCHEMBL29793294 0.70 CXCL8 (0.55) MAPK10AURKAMAPTMEN1KMT2A
SCHEMBL396120 0.70 CXCL8 (0.55) MAPK10AURKAMAPTMEN1KMT2A
SCHEMBL12813310 0.68 AURKA (0.61) MAPK10AURKAMAPK8MAPTMEN1

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-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

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 MAPK10 652/4885AURKA 373/4885MAPK8 573/4885

“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.