SCHEMBL4940683

SCHEMBL4940683

CCOc1ccc(NC(=O)Nc2c3c(nn2-c2ccccc2)COC3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
PKM P14618 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 2/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
AURKA O14965 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
BCL2 P10415 1/20 0.44
MDM2 Q00987 1/20 0.44
MCL1 Q07820 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MITF O75030 1/20 0.44
PAX8 Q06710 1/20 0.44

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
SCHEMBL4935439 0.89 KCNJ6 (0.56) MAPTPKMMEN1KMT2AALDH1A1
SCHEMBL4937698 0.84 MAPT (0.55) MAPTKMT2ATP53POLB
SCHEMBL15716415 0.77 POLB (0.46) MAPTKMT2ATP53POLBNTRK1
SCHEMBL13858298 0.75 POLB (0.45) MAPTKMT2ATP53POLBNTRK1
SCHEMBL4937639 0.73 KCNJ6 (0.80) KCNJ6KCNJ3
SCHEMBL4938366 0.73 KCNJ6 (0.74) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL4104467 0.73 MAPT (0.76) MAPTPKMMEN1KMT2AKDM4E
SCHEMBL4936156 0.73 MAPT (0.66) MAPTKMT2ATP53POLBKCNJ6
SCHEMBL4938012 0.72 MAPT (0.66) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4937742 0.72 POLB (0.70) MEN1KMT2AGAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081833-A1 Novel Pyrazole Derivatives And Their Use As Modulators Of Nicotinic Acetylcholine Receptors ASTRAZENECA AB (SE) 2008-04-03 US claimed
EP-1831228-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AstraZeneca AB (SE) 2007-09-12 EP claimed
WO-2006068591-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS ASTRAZENECA AB (SE) 2006-06-29 WO claimed
US-20080081833-A1 Novel Pyrazole Derivatives And Their Use As Modulators Of Nicotinic Acetylcholine Receptors ASTRAZENECA AB (SE) 2008-04-03 US disclosed
US-20080081833-A1 Novel Pyrazole Derivatives And Their Use As Modulators Of Nicotinic Acetylcholine Receptors ASTRAZENECA AB (SE) 2008-04-03 US disclosed
US-20080081833-A1 Novel Pyrazole Derivatives And Their Use As Modulators Of Nicotinic Acetylcholine Receptors ASTRAZENECA AB (SE) 2008-04-03 US disclosed
EP-1440984-B1 Method of manufacturing water-absorbing shaped body NIPPON CATALYTIC CHEM IND (JP) 2007-10-17 EP disclosed
EP-1831228-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006068591-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
US-20040183235-A1 Method of manufacturing water-absorbing shaped body NIPPON SHOKUBAI CO., LTD. (JP) 2004-09-23 US disclosed
EP-1440984-A1 Method of manufacturing water-absorbing shaped body Nippon Shokubai Co., Ltd. (JP) 2004-07-28 EP disclosed
EP-0801335-B1 Magnetic coated carrier, two-component type developer and developing method CANON KK (JP) 2001-08-29 EP disclosed
US-6165663-A Magnetic coated carrier two-component type developer and developing method CANON KABUSHIKI KAISHA (JP) 2000-12-26 US disclosed
EP-0801335-A1 Magnetic coated carrier, two-component type developer and developing method CANON KABUSHIKI KAISHA (JP) 1997-10-15 EP disclosed
EP-0275899-B1 PROCESS FOR PREPARING PARTICLES HAVING MONODISPERSE PARTICLE SIZE Nippon Paint Co., Ltd. (JP) 1991-07-24 EP 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-20080081833-A1 Novel Pyrazole Derivatives And Their Use As Modulators Of Nicotinic Acetylcholine Receptors CHRM2, CHRNA1, CHRM1 MAPT 1368/4885PKM 1743/4885MEN1 3545/4885

“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.