SCHEMBL4425865

SCHEMBL4425865

CN(C)c1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
CHEK1 O14757 1/20 0.34
NEK2 P51955 1/20 0.34
LIMK1 P53667 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MCL1 Q07820 1/20 0.34
WDR5 P61964 1/20 0.33
EP300 Q09472 1/20 0.33
KAT2B Q92831 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
TDP1 Q9NUW8 4/20 0.32
ALDH1A1 P00352 4/20 0.32
CYP2A6 P11509 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.32
NSD2 O96028 1/20 0.32
EGFR P00533 1/20 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
Hydrochloric Acid SCHEMBL125219 0.85 ALDH1A1 (0.41) MAPTWDR5TDP1ALDH1A1CYP2A6
Hydrochloric Acid SCHEMBL30032917 0.85 ALDH1A1 (0.41) MAPTWDR5TDP1ALDH1A1CYP2A6
SCHEMBL10323632 0.85 ALDH1A1 (0.44) MAPTWDR5TDP1ALDH1A1CYP2A6
SCHEMBL29496111 0.85 ALDH1A1 (0.44) MAPTWDR5TDP1ALDH1A1CYP2A6
SCHEMBL29350037 0.85 ALDH1A1 (0.44) MAPTWDR5TDP1ALDH1A1CYP2A6
SCHEMBL146878 0.85 ALDH1A1 (0.44) MAPTWDR5TDP1ALDH1A1CYP2A6
SCHEMBL5107 0.85 ALDH1A1 (0.44) MAPTWDR5TDP1ALDH1A1CYP2A6
SCHEMBL15271042 0.84 ALDH1A1 (0.42) MAPTWDR5TDP1ALDH1A1CYP2A6
SCHEMBL5149451 0.84 ALDH1A1 (0.42) MAPTWDR5TDP1ALDH1A1CYP2A6
SCHEMBL3416712 0.84 ALDH1A1 (0.42) MAPTWDR5TDP1ALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110872268-B Isocoumarin derivative and preparation method and medicinal application thereof 复旦大学 2023-07-25 CN disclosed
US-20220081413-A1 SYNTHESIS OF QUINAZOLINE COMPOUNDS GENENTECH, INC. (US) 2022-03-17 US disclosed
US-11198701-B2 Biaryl ligands, methods of making biarlyl ligands, and methods of use thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2021-12-14 US disclosed
US-20200223878-A1 BIARYL LIGANDS, METHODS OF MAKING BIARLYL LIGANDS, AND METHODS OF USE THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2020-07-16 US disclosed
US-9994599-B2 Biaryl ligands UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2018-06-12 US disclosed
US-9994599-B2 Biaryl ligands UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2018-06-12 US disclosed
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-22 US disclosed
EP-2583958-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2016-08-10 EP disclosed
EP-2583958-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2016-08-10 EP disclosed
US-20160222041-A1 BIARYL LIGANDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2016-08-04 US disclosed
US-7223879-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-29 US disclosed
EP-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
US-7026498-B2 Coordination catalyst containing ligand MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-04-11 US disclosed
US-20060069257-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2006-03-30 US disclosed
EP-1097158-B1 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INST TECHNOLOGY (US) 2006-01-25 EP disclosed
US-6946560-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-09-20 US disclosed
US-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2004-09-02 US disclosed
US-20040010149-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2004-01-15 US disclosed
US-6395916-B1 AMINE, PHOSPHINE LIGANDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2002-05-28 US disclosed
US-6307087-B1 USE OF CATALYSTS COMPRISING THESE LIGANDS IN TRANSITION METAL-CATALYZED CARBON-HETEROATOM AND CARBON-CARBON BOND-FORMING REACTIONS. MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-10-23 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 (8 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-20220081413-A1 SYNTHESIS OF QUINAZOLINE COMPOUNDS COQ8A, SQSTM1, QARS1 MAPT 650/4885CHEK1 244/4885NEK2 149/4885
US-20170173572-A1 CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS POF1B, FGFR1, COASY MAPT 4198/4885CHEK1 800/4885NEK2 1449/4885
US-20040010149-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SOD1, SLC30A6 MAPT 2210/4885CHEK1 2343/4885NEK2 2471/4885
US-20060069257-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, PICALM, SLC30A6 MAPT 2998/4885CHEK1 1652/4885NEK2 2724/4885
US-11198701-B2 Biaryl ligands, methods of making biarlyl ligands, and methods of use thereof BID, EBPL, BPHL MAPT 4465/4885CHEK1 1313/4885NEK2 1879/4885
US-20200223878-A1 BIARYL LIGANDS, METHODS OF MAKING BIARLYL LIGANDS, AND METHODS OF USE THEREOF BID, EBPL, BPHL MAPT 4465/4885CHEK1 1313/4885NEK2 1879/4885
US-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SLC30A6, SOD1 MAPT 2351/4885CHEK1 2473/4885NEK2 2599/4885
US-20160222041-A1 BIARYL LIGANDS BID, BLVRB, ABCG2 MAPT 4010/4885CHEK1 1309/4885NEK2 1899/4885

“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.