SCHEMBL18170636

SCHEMBL18170636

O=C(Nc1ccc(Nc2ccccn2)c2c1C(=O)NC2)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CASP3 P42574 1/20 0.43
KDR P35968 1/20 0.42
CES1 P23141 1/20 0.41
F10 P00742 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
GRM1 Q13255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2 P00734 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
SCHEMBL18170600 0.87 KMT2A (0.44) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL18170461 0.85 MEN1 (0.52) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL18170896 0.83 CASP3 (0.41) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL18170549 0.83 KDR (0.53) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL18171017 0.82 MEN1 (0.48) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL18170467 0.82 MEN1 (0.48) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL18170515 0.80 MLYCD (0.47) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL18170590 0.80 CYP11B1 (0.57) NPC1RAB9ACASP3KDRLMNA
SCHEMBL18170783 0.79 KCNMA1 (0.51) MEN1KMT2ACASP3KDRNPSR1
SCHEMBL18170925 0.78 CASP3 (0.47) NPC1RAB9AMEN1KMT2ACASP3

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 NPC1 2005/4885RAB9A 2823/4885MEN1 1064/4885

“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.