SCHEMBL12376528

SCHEMBL12376528

CC(C)c1ccc2c(c1)nnn2C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 6/20 0.52
HCAR3 P49019 1/20 0.51
SLC9A1 P19634 1/20 0.50
HPGD P15428 5/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 5/20 0.42
NPC1 O15118 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDO2 P48775 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NFE2L2 Q16236 2/20 0.41

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
SCHEMBL15341829 0.85 CYP19A1 (0.50) KEAP1HCAR3SLC9A1POLBMAPT
SCHEMBL16831706 0.82 HCAR3 (0.60) KEAP1HCAR3HPGDPOLBMAPT
SCHEMBL3285240 0.81 PKM (0.53) KEAP1HCAR3HPGDPOLBALDH1A1
SCHEMBL19236877 0.80 KEAP1 (0.49) KEAP1HCAR3SLC9A1HPGDPOLB
SCHEMBL24296719 0.80 PARP15 (0.39) KEAP1HCAR3HPGDMAPTSMN1; SMN2
SCHEMBL14200034 0.80 HCAR3 (0.58) KEAP1HCAR3HPGDMAPTSMN1; SMN2
SCHEMBL24296700 0.80 PARP15 (0.39) KEAP1HCAR3HPGDMAPTSMN1; SMN2
SCHEMBL15341912 0.79 TDO2 (0.45) KEAP1HCAR3SLC9A1HPGDPOLB
SCHEMBL19619606 0.78 KEAP1 (0.40) KEAP1HCAR3SLC9A1HPGDPOLB
SCHEMBL21169561 0.77 HCAR3 (0.55) HCAR3SLC9A1POLBMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240068009-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRAZINES AS LUCIFERASE SUBSTRATES PROMEGA CORPORATION 2024-02-29 US disclosed
US-20240068009-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRAZINES AS LUCIFERASE SUBSTRATES PROMEGA CORPORATION 2024-02-29 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-11781168-B2 Process for preparing substituted imidazo[1,2-α]pyrazines PROMEGA CORPORATION (US) 2023-10-10 US disclosed
US-11781168-B2 Process for preparing substituted imidazo[1,2-α]pyrazines PROMEGA CORPORATION (US) 2023-10-10 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 US disclosed
US-11572367-B2 Antiviral heterocyclic compounds ENANTA PHARMACEUTICALS, INC. (US) 2023-02-07 US disclosed
US-20160130275-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2016-05-12 US disclosed
US-20160108046-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. 2016-04-21 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9238039-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-01-19 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20140154240-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2014-06-05 US disclosed
US-20140072554-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2014-03-13 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-8436016-B2 Fused heterocyclic M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. 2013-05-07 US disclosed
US-20110201607-A1 FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck, Sharp & Dohme, Corp. 2011-08-18 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 (13 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-20140154240-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS KEAP1 3964/4885HCAR3 3960/4885SLC9A1 1895/4885
US-11781168-B2 Process for preparing substituted imidazo[1,2-α]pyrazines CYP4Z1, CYP2E1, CYP2F1 KEAP1 1432/4885HCAR3 4539/4885SLC9A1 4599/4885
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 KEAP1 2451/4885HCAR3 205/4885SLC9A1 4160/4885
US-20140072554-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS KEAP1 3964/4885HCAR3 3960/4885SLC9A1 1895/4885
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN MYC, MYCBP, MYCBP2 KEAP1 399/4885HCAR3 4732/4885SLC9A1 4817/4885
US-20110201607-A1 FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 KEAP1 2960/4885HCAR3 227/4885SLC9A1 3152/4885
US-20160130275-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS KEAP1 3964/4885HCAR3 3960/4885SLC9A1 1895/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 KEAP1 818/4885HCAR3 4019/4885SLC9A1 2618/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 KEAP1 818/4885HCAR3 4019/4885SLC9A1 2618/4885
US-20160108046-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A KEAP1 251/4885HCAR3 1898/4885SLC9A1 3735/4885
US-20240068009-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRAZINES AS LUCIFERASE SUBSTRATES PGLS, AADAC, GLB1 KEAP1 3109/4885HCAR3 2016/4885SLC9A1 3748/4885
US-11572367-B2 Antiviral heterocyclic compounds ACE, HPRT1, ACE2 KEAP1 766/4885HCAR3 118/4885SLC9A1 1247/4885
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 KEAP1 766/4885HCAR3 118/4885SLC9A1 1247/4885

“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.