SCHEMBL18170469

SCHEMBL18170469

O=C(Nc1ccc(Nc2ccccc2Cl)c2c1C(=O)NC2)c1ccc(NCCN2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KDR P35968 1/20 0.39
CACNA1G O43497 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HDAC1 Q13547 1/20 0.38
PTGES O14684 1/20 0.38
CNR2 P34972 1/20 0.38
HTR3A P46098 1/20 0.38
RPS6KA3 P51812 1/20 0.38
RPS6KA2 Q15349 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL18170828 0.99 AURKA (0.41) TNIKAURKAAURKBSMN1; SMN2KDR
SCHEMBL18170577 0.90 KDR (0.42) TNIKSMN1; SMN2KDRCACNA1GMAPT
SCHEMBL18170837 0.90 KDR (0.45) TNIKKDRALDH1A1MEN1KMT2A
SCHEMBL18170541 0.90 KDR (0.45) TNIKKDRALDH1A1MEN1KMT2A
SCHEMBL18170854 0.89 KDR (0.43) TNIKSMN1; SMN2KDRCACNA1GALDH1A1
Hydrochloric Acid SCHEMBL18170880 0.89 KDR (0.44) TNIKKDRALDH1A1MEN1KMT2A
SCHEMBL18170490 0.89 KDR (0.45) TNIKAURKASMN1; SMN2KDRMEN1
SCHEMBL18170860 0.88 SMN1; SMN2 (0.51) TNIKSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL18170631 0.87 ALDH1A1 (0.43) TNIKKDRCACNA1GHPGDALDH1A1
SCHEMBL18170658 0.87 SMN1; SMN2 (0.51) SMN1; SMN2KDRHPGDALDH1A1MAPT

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 TNIK 1/4885AURKA 373/4885AURKB 287/4885

“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.