SCHEMBL9967696

SCHEMBL9967696

CC(C)/C=C/c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.59
CYP11B2 P19099 1/20 0.59
ALOX5 P09917 3/20 0.54
CHRNB2 P17787 2/20 0.54
CHRNA4 P43681 2/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
JUN P05412 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PTGS1 P23219 2/20 0.50
PTGS2 P35354 2/20 0.50
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49

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
SCHEMBL6450487 1.00 CYP11B1 (0.59) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4
SCHEMBL10193817 0.85 ALOX5 (0.55) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4
SCHEMBL3012381 0.83 CYP11B1 (0.53) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4
SCHEMBL3012379 0.83 CYP11B1 (0.53) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4
SCHEMBL6450540 0.82 CHRNB2 (0.53) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4
SCHEMBL6294040 0.81 ALDH1A1 (0.54) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4
SCHEMBL3017118 0.80 CHRNB2 (0.51) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4
SCHEMBL4658201 0.80 CYP11B1 (0.50) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4
SCHEMBL3017116 0.80 CHRNB2 (0.51) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4
SCHEMBL3013280 0.80 CHRNB2 (0.59) CYP11B1CYP11B2ALOX5CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20230063768-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-03-02 US disclosed
US-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 US disclosed
EP-3932935-A1 ANTIBACTERIAL PEPTIDES Centre National de la Recherche Scientifique (FR) 2022-01-05 EP disclosed
US-20210214607-A1 LONG WAVELENGTH EMITTING CHEMILUMINESCENT PROBES NEMIS TECHNOLOGIES AG (CH) 2021-07-15 US disclosed
EP-3808743-A1 HIV REPLICATION INHIBITING PYRIMIDINES Janssen Pharmaceutica NV (BE) 2021-04-21 EP disclosed
EP-3096751-B1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics GmbH (AT) 2021-01-06 EP disclosed
WO-2020163594-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 WO disclosed
US-10611732-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2020-04-07 US disclosed
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES GUILLEMONT JEROME EMILE GEORGES (FR) 2012-03-29 US disclosed
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES GUILLEMONT JEROME EMILE GEORGES (FR) 2012-03-29 US disclosed
US-8080551-B2 HIV inhibiting pyrimidines derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-20 US disclosed
US-8080551-B2 HIV inhibiting pyrimidines derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-20 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-20100075990-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES CAYMAN CHEMICAL COMPANY (US) 2010-03-25 US disclosed
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION JANSSEN-CILAG (FR) 2010-02-11 US disclosed
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection HEERES JAN 2007-01-25 US disclosed
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection HEERES JAN 2007-01-25 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 (10 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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 CYP11B1 4419/4885CYP11B2 4392/4885ALOX5 4228/4885
US-20100075990-A1 MULTIHETEROARYL COMPOUNDS AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES HPGDS, PTGIS, PTGES CYP11B1 105/4885CYP11B2 86/4885ALOX5 22/4885
US-20070021449-A1 Pyrimidine derivatives for the prevention of hiv infection ADORA2B, CYP1B1, DPYD CYP11B1 360/4885CYP11B2 537/4885ALOX5 832/4885
US-20230063768-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF PMP22, MAG, FABP7 CYP11B1 4332/4885CYP11B2 3821/4885ALOX5 3290/4885
US-10611732-B2 HIV replication inhibiting pyrimidines RRM2B, CCNO, RRM2 CYP11B1 715/4885CYP11B2 1015/4885ALOX5 2853/4885
US-20120076835-A1 HIV INHIBITING PYRIMIDINES DERIVATIVES TYMS, PNP, DUT CYP11B1 716/4885CYP11B2 893/4885ALOX5 1654/4885
US-20100034810-A1 PYRIMIDINE DERIVATIVES FOR THE PREVENTION OF HIV INFECTION NOX3, CBR3, CBR1 CYP11B1 116/4885CYP11B2 163/4885ALOX5 1535/4885
US-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G CYP11B1 2802/4885CYP11B2 3479/4885ALOX5 3874/4885
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same DRD3, HTR3C, HTR3A CYP11B1 571/4885CYP11B2 662/4885ALOX5 2826/4885
US-20210214607-A1 LONG WAVELENGTH EMITTING CHEMILUMINESCENT PROBES VEGFA, GUSB, NR2E3 CYP11B1 85/4885CYP11B2 104/4885ALOX5 654/4885

“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.