SCHEMBL91323

SCHEMBL91323

CC(C)(C)c1ccnc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.48
LOX P28300 1/20 0.47
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
NOTUM Q6P988 1/20 0.41
IDO1 P14902 1/20 0.41
AR P10275 1/20 0.41
KIF11 P52732 2/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
ACHE P22303 1/20 0.38
ADRB2 P07550 1/20 0.37
CA2 P00918 1/20 0.36
CHKA P35790 1/20 0.36
LRRK2 Q5S007 1/20 0.36
KCNQ2 O43526 1/20 0.36
PARP15 Q460N3 1/20 0.35
PARP14 Q460N5 1/20 0.35
PARP10 Q53GL7 1/20 0.35
TIPARP Q7Z3E1 1/20 0.35

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
SCHEMBL12553830 0.88 KIF11 (0.40) LOXL2LOXNOS3NOS2KIF11
SCHEMBL278964 0.85 LMNA (0.41) NOS3NOS2KIF11ALDH1A1HPGD
SCHEMBL29738718 0.85 LMNA (0.41) NOS3NOS2KIF11ALDH1A1HPGD
SCHEMBL2327508 0.85 NOS3 (0.59) LOXL2LOXNOS3NOS2NOTUM
SCHEMBL30636504 0.84 SYK (0.47) LOXL2LOXNOS3NOS2NOTUM
SCHEMBL2609325 0.83 NOS3 (0.53) LOXL2LOXNOS3NOS2AR
SCHEMBL18745826 0.82 LOXL2 (0.49) LOXL2LOXNOS3NOS2NOTUM
SCHEMBL24132435 0.79 KIF11 (0.36) NOS3NOS2KIF11ACHEALDH1A1
SCHEMBL14868350 0.79 ALDH1A1 (0.39) KIF11ACHEALDH1A1HPGDALOX15
SCHEMBL12553833 0.79 NOS3 (0.39) LOXL2LOXNOS3NOS2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073383-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2024-04-04 WO disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-20230227429-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-11691979-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
US-11691979-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
US-20100323887-A1 MESOIONIC PESTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-23 US disclosed
US-20100323887-A1 MESOIONIC PESTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-23 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 US disclosed
US-20080161345-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. 2008-07-03 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 (11 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-11691979-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 LOXL2 4393/4885LOX 4420/4885NOS3 403/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 LOXL2 4393/4885LOX 4420/4885NOS3 403/4885
US-20230227429-A1 SULPHONAMIDE COMPOUNDS MLKL, RIPK3, CASP1 LOXL2 1022/4885LOX 1092/4885NOS3 140/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 LOXL2 4393/4885LOX 4420/4885NOS3 403/4885
US-20100323887-A1 MESOIONIC PESTICIDES DDT, CHRM1, CHRM3 LOXL2 599/4885LOX 253/4885NOS3 1256/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 LOXL2 627/4885LOX 2627/4885NOS3 4123/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 LOXL2 1089/4885LOX 2779/4885NOS3 4167/4885
US-20080161345-A1 Aryl Sulfonamides CCR2, CCL2, CX3CR1 LOXL2 1728/4885LOX 2634/4885NOS3 1745/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS LOXL2 1727/4885LOX 1462/4885NOS3 4589/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 LOXL2 3230/4885LOX 2567/4885NOS3 696/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP LOXL2 321/4885LOX 952/4885NOS3 3384/4885

“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.