SCHEMBL4950822

SCHEMBL4950822

CCOC(=O)c1n[nH]c2c1CN(C(=O)Cc1cccs1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.55
ABL1 P00519 1/20 0.52
BCR P11274 1/20 0.52
PLK1 P53350 1/20 0.52
HSD17B10 Q99714 5/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
PDE4D Q08499 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
HPGD P15428 3/20 0.40
MAPK1 P28482 2/20 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
SCHEMBL4943590 0.85 AURKA (0.58) AURKAABL1BCRPLK1HSD17B10
SCHEMBL4782288 0.84 AURKA (0.57) AURKAABL1BCRPLK1HSD17B10
SCHEMBL4782291 0.79 AURKA (0.59) AURKAABL1BCRPLK1HSD17B10
SCHEMBL4948572 0.72 ELANE (0.44) KMT2AMEN1PDE4DMAPTALDH1A1
SCHEMBL4946521 0.72 AURKA (0.58) AURKAPOLBKDM4E
SCHEMBL2921258 0.71 AURKA (1.00) AURKAABL1BCRPLK1
SCHEMBL4946526 0.71 KDM4E (0.41) AURKAHTTMAPTNPSR1LMNA
SCHEMBL2917872 0.70 AURKA (0.75) AURKAABL1BCRPLK1
SCHEMBL4944611 0.70 KDM4E (0.47) HSD17B10KMT2AMEN1MAPTLMNA
SCHEMBL17870553 0.69 CREBBP (0.53) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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
EP-1885725-B1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-09-24 EP disclosed
EP-1885725-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-13 EP disclosed
WO-2006108488-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 WO disclosed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 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-20060235013-A1 Tricyclic azole derivatives CYP3A5, CYP3A43, CYP11B1 AURKA 1207/4885ABL1 244/4885BCR 409/4885

“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.