SCHEMBL18170953

SCHEMBL18170953

Cc1cccc(Nc2ccc(NC(=O)c3ccc(NCCN4CCCCC4)cc3)c3c2CNC3=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.51
TNIK Q9UKE5 1/20 0.43
MCHR1 Q99705 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
CACNA1G O43497 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39

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
SCHEMBL18170552 0.99 KDR (0.52) KDRTNIKMCHR1KDM4EALDH1A1
SCHEMBL18170761 0.95 KDR (0.50) KDRTNIKKDM4EALDH1A1MAPT
SCHEMBL18170508 0.94 KDR (0.51) KDRKDM4EALDH1A1MAPTRAB9A
SCHEMBL18170631 0.91 ALDH1A1 (0.43) KDRTNIKKDM4EALDH1A1MAPT
SCHEMBL18170541 0.91 KDR (0.45) KDRTNIKALDH1A1POLB
SCHEMBL18170837 0.91 KDR (0.45) KDRTNIKALDH1A1POLB
SCHEMBL18170727 0.91 HSD17B10 (0.43) KDRTNIKALDH1A1MAPTRAB9A
SCHEMBL18170626 0.90 KDR (0.42) KDRTNIKKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL18170880 0.90 KDR (0.44) KDRTNIKALDH1A1POLB
SCHEMBL18170490 0.90 KDR (0.45) KDRTNIKPOLBSMN1; SMN2AURKA

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 KDR 1662/4885TNIK 1/4885MCHR1 4667/4885

“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.