SCHEMBL4827459

SCHEMBL4827459

CCN1C(=O)C(C)(C)c2cc3[nH]c(-c4n[nH]cc4NC(=O)c4ccco4)nc3cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
MAPT P10636 9/20 0.41
USP2 O75604 3/20 0.41
POLB P06746 9/20 0.40
RAB9A P51151 8/20 0.40
ALDH1A1 P00352 8/20 0.40
NPC1 O15118 7/20 0.40
TP53 P04637 7/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
TDP1 Q9NUW8 5/20 0.40
HSD17B10 Q99714 5/20 0.40
HPGD P15428 4/20 0.40
KMT2A Q03164 3/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL4829124 0.88 MAPT (0.41) AURKAAURKBMAPTUSP2POLB
SCHEMBL4829062 0.88 AURKA (0.50) AURKAAURKBKMT2AMEN1MAPK1
SCHEMBL4829059 0.87 AURKA (0.53) AURKAAURKBMAPTALDH1A1TP53
SCHEMBL4830755 0.87 AURKA (0.48) AURKAAURKBMAPTPOLBRAB9A
SCHEMBL4827086 0.86 AURKA (0.51) AURKAAURKBMAPTUSP2POLB
SCHEMBL4826377 0.86 AURKA (0.51) AURKAAURKBPOLBALDH1A1KDM4E
SCHEMBL4829418 0.85 AURKA (0.58) AURKAAURKBMAPTPOLBRAB9A
SCHEMBL4829180 0.85 AURKA (0.51) AURKAAURKBMAPTPOLBRAB9A
SCHEMBL4829419 0.85 AURKA (0.51) AURKAAURKBMAPTPOLBRAB9A
SCHEMBL4823345 0.85 AURKA (0.52) AURKAAURKBMAPTALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235065-A1 Aminopyrazole derivatives HOFFMANN-LA ROCHE INC. 2006-10-19 US claimed
US-7462639-B2 e.g 3-(7,7-Dimethyl-6-oxo-1,5,6,7-tetrahydro-imidazo[4,5-f]indol-2-yl)-1H-pyrazol-4-yl]-carbamic acid benzyl ester; Aurora A (serotonin/threonine) kinase inhibitors; anticarcinogenic agent; colorectal, breast, lung, prostate, pancreatic, gastric, bladder, ovarian cancer, melanoma, neuroblastoma HOFFMANN-LA ROCHE INC. (US) 2008-12-09 US disclosed
US-20060235065-A1 Aminopyrazole derivatives HOFFMANN-LA ROCHE INC. 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-20060235065-A1 Aminopyrazole derivatives CYP3A43, CYP3A5, CYP3A4 AURKA 742/4885AURKB 1096/4885MAPT 3127/4885

“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.