SCHEMBL18170855

SCHEMBL18170855

CC(=O)c1ccc(-c2ccc(N)c3c2CNC3=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.56
HSD17B1 P14061 2/20 0.38
WEE1 P30291 1/20 0.37
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
CSF1R P07333 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRF1 P14222 1/20 0.36
ROCK2 O75116 2/20 0.36
MAP4K4 O95819 2/20 0.36
LCK P06239 2/20 0.36
RET P07949 2/20 0.36
PIM1 P11309 2/20 0.36
RPS6KB1 P23443 2/20 0.36
BLK P51451 2/20 0.36
STK3 Q13188 2/20 0.36
ROCK1 Q13464 2/20 0.36
NTRK3 Q16288 2/20 0.36
TAOK1 Q7L7X3 2/20 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
SCHEMBL18170563 0.83 KDR (0.61) KDRCSF1RROCK2MAP4K4LCK
SCHEMBL3046347 0.83 KDR (0.55) KDRWEE1CSF1RROCK2
SCHEMBL18170540 0.80 KDR (0.52) KDRCSF1RMAPTMAP4K4NTRK3
SCHEMBL18170475 0.80 KDR (0.52) KDRCSF1RPIM1ROCK1GSK3B
SCHEMBL3043388 0.80 KDR (0.54) KDRWEE1PARP10PARP11CSF1R
SCHEMBL18170608 0.80 KDR (0.52) KDRMAPTSMN1; SMN2ROCK2AURKB
SCHEMBL18170546 0.79 KDR (0.50) KDRPARP10PARP11CSF1RMAPT
SCHEMBL30701043 0.79 KDR (0.50) KDRPARP10PARP11CSF1RMAPT
SCHEMBL18170695 0.76 KDR (0.68) KDR
SCHEMBL3034618 0.74 KDR (0.49) KDRROCK2MAP4K4PIM1RPS6KB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 1662/4885HSD17B1 4480/4885WEE1 846/4885

“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.