SCHEMBL4829124

SCHEMBL4829124

CC(C)N1C(=O)C(C)(C)c2cc3[nH]c(-c4n[nH]cc4NC(=O)c4ccco4)nc3cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.41
USP2 O75604 3/20 0.41
RAB9A P51151 9/20 0.41
POLB P06746 8/20 0.41
NPC1 O15118 8/20 0.41
ALDH1A1 P00352 8/20 0.41
TP53 P04637 8/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
HSD17B10 Q99714 6/20 0.41
TDP1 Q9NUW8 5/20 0.41
HPGD P15428 4/20 0.41
KMT2A Q03164 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
RECQL P46063 3/20 0.40
MEN1 O00255 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
SCHEMBL4827459 0.88 AURKA (0.50) MAPTUSP2RAB9APOLBNPC1
SCHEMBL4829256 0.81 AURKA (0.38) ALDH1A1KDM4EHPGDAURKAAURKB
SCHEMBL4829216 0.81 AURKA (0.37) AURKAAURKB
SCHEMBL4829476 0.81 AURKA (0.41) KDM4EHPGDAURKAAURKB
SCHEMBL4821194 0.80 AURKA (0.36) AURKAAURKB
SCHEMBL13374041 0.80 MAPT (0.52) MAPTUSP2RAB9APOLBNPC1
SCHEMBL4822483 0.79 PDPK1 (0.37) AURKAAURKB
SCHEMBL4830731 0.77 KMT2A (0.34) MAPTRAB9ANPC1ALDH1A1TP53
SCHEMBL4822528 0.77 KMT2A (0.34) MAPTRAB9ANPC1ALDH1A1TP53
SCHEMBL4827132 0.77 AURKA (0.44) AURKAAURKB

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 MAPT 3127/4885USP2 4559/4885RAB9A 1513/4885

“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.