SCHEMBL3517026

SCHEMBL3517026

CC(C)(C)OC(=O)n1nc(NC(=O)c2ccccc2)c2cc(N)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.46
ADORA3 P0DMS8 3/20 0.42
ADORA1 P30542 2/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PKM P14618 2/20 0.41
POLB P06746 1/20 0.41
CCR8 P51685 1/20 0.41
ELANE P08246 4/20 0.41
CDC7 O00311 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NR1H2 P55055 2/20 0.37
HDAC1 Q13547 3/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 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
SCHEMBL6599923 0.85 HTT (0.39) MAP2K4ADORA3ADORA1RAB9AL3MBTL1
SCHEMBL3515951 0.84 ELANE (0.46) ADORA3ADORA1MAPTCYP1A2CYP2C9
SCHEMBL3516455 0.84 ELANE (0.54) MAP2K4ADORA3MAPTPOLBELANE
SCHEMBL4006762 0.79 MAP2K4 (0.58) MAP2K4MAPTELANEKDM4ENR1H2
SCHEMBL660243 0.78 MAP2K4 (0.45) MAP2K4ELANENR1H2
SCHEMBL4164109 0.77 ELANE (0.42) MAP2K4ADORA3ADORA1MAPTPOLB
SCHEMBL18108638 0.77 KDM4E (0.46) MAP2K4ADORA3ADORA1MAPTCYP1A2
SCHEMBL3517327 0.77 MAP2K4 (0.44) MAP2K4ADORA3ELANENR1H2
SCHEMBL3514381 0.76 MAP2K4 (0.43) MAP2K4ADORA3ELANENR1H2
SCHEMBL5005280 0.75 MAP2K4 (0.43) MAP2K4ELANENR1H2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-11-25 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-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS WEE1, PRMT1, ABL1 MAP2K4 4705/4885ADORA3 115/4885ADORA1 84/4885

“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.