SCHEMBL249747

SCHEMBL249747

CN(C)c1cc[c]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.44
NEK2 P51955 1/20 0.44
LIMK1 P53667 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
EP300 Q09472 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT8 Q9H7Z6 1/20 0.42
CA2 P00918 1/20 0.34
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 4/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL226938 0.86 CHEK1 (0.42) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL9256410 0.81 CHKA (0.38) HTTCHKAMEN1KMT2A
SCHEMBL297213 0.79 AR (0.33) MAPTALDH1A1TSHRKDM1AL3MBTL1
SCHEMBL9830323 0.79 ELANE (0.32)
SCHEMBL2254662 0.77 MCL1 (0.39) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL296148 0.76 KDM4E (0.33) MAPTALDH1A1CYP1A2KDM4ECYP2C19
SCHEMBL293332 0.76 GAA (0.56) MAPTSMN1; SMN2POLBLMNANPSR1
SCHEMBL8800532 0.75 CHEK1 (0.40) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3903119 0.73 KDM4E (0.30) MAPTGAAKDM4E
SCHEMBL298360 0.73 ELANE (0.38) MAPTHTTLMNANPSR1GAA

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 236 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609848-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2013-12-17 US claimed
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS NYCOMED GMBH (DE) 2011-09-08 US claimed
EP-2356103-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS Nycomed GmbH (DE) 2011-08-17 EP claimed
WO-2010055083-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS NYCOMED GMBH (DE) 2010-05-20 WO claimed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US claimed
EP-1218383-B1 BICYCLIC IMIDAZO-5-YL-AMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-11-05 EP claimed
EP-1682076-A4 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS INC (US) 2008-02-06 EP claimed
US-20070020793-A1 Three-dimensional shaped solid dosimeter and method of use ADAMOVICS JOHN A 2007-01-25 US claimed
CN-1898205-A Indolinone derivatives and their use in treating disease-states such as cancer SCHERING AG (DE) 2007-01-17 CN claimed
US-20020183320-A1 Bicyclic imidazo-5-yl-amine derivatives GRUENENTHAL GMBH (DE) 2002-12-05 US claimed
EP-1218383-A2 BICYCLIC IMIDAZO-5-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2002-07-03 EP claimed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO claimed
WO-2001081344-A1 SALTS OF BICYCLIC, N-ACYLATED IMIDAZO-3-AMINES AND IMIDAZO-5-AMINES Grünenthal GmbH (DE) 2001-11-01 WO claimed
WO-2001027118-A2 BICYCLIC IMIDAZO-5-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2001-04-19 WO claimed
WO-2001027119-A2 SUBSTANCE LIBRARY CONTAINING BICYCLIC IMIDAZO-5-YL-AMINES AND/OR BICYCLIC IMIDAZO-3-YL-AMINES Grünenthal GmbH (DE) 2001-04-19 WO claimed
EP-0605286-B1 Thermal-dye-bleach construction MINNESOTA MINING & MFG (US) 1998-06-24 EP claimed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
EP-0605286-A1 Thermal-dye-bleach construction MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-07-06 EP claimed
US-5314795-A Thermal-dye-bleach construction comprising a polymethine dye and a thermal carbanion-generating agent MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-05-24 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 CHEK1 3689/4885NEK2 1675/4885LIMK1 1159/4885
US-20020183320-A1 Bicyclic imidazo-5-yl-amine derivatives ACHE, P2RX5, CNR1 CHEK1 3158/4885NEK2 538/4885LIMK1 3821/4885
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A CHEK1 2347/4885NEK2 1183/4885LIMK1 2183/4885

“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.