SCHEMBL1144583

SCHEMBL1144583

Cc1nc2c(C)cc(Br)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.47
EGLN1 Q9GZT9 1/20 0.46
NQO2 P16083 1/20 0.42
PARP1 P09874 3/20 0.41
CSNK2A1 P68400 1/20 0.39
DHODH Q02127 3/20 0.36
RPS6KA3 P51812 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PARP4 Q9UKK3 1/20 0.34
CYP1A2 P05177 1/20 0.34
IGF1R P08069 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL30888946 1.00 SMN1; SMN2 (0.50) SMN1; SMN2HTTEGLN1NQO2PARP1
SCHEMBL13544184 0.84 SMN1; SMN2 (0.50) SMN1; SMN2HTTEGLN1NQO2PARP1
SCHEMBL1759078 0.81 SMN1; SMN2 (0.47) SMN1; SMN2HTTEGLN1PARP1CSNK2A1
SCHEMBL10146528 0.79 PARP1 (0.56) SMN1; SMN2HTTPARP1DHODHRPS6KA3
SCHEMBL6500700 0.79 EGLN1 (0.40) SMN1; SMN2EGLN1NQO2PARP1RPS6KA3
SCHEMBL156056 0.78 CSNK2A2 (0.43) SMN1; SMN2EGLN1NQO2PARP1CSNK2A1
SCHEMBL1918900 0.78 EGLN1 (0.42) SMN1; SMN2HTTEGLN1NQO2PARP1
SCHEMBL30979352 0.78 EGLN1 (0.45) SMN1; SMN2HTTEGLN1NQO2PARP1
SCHEMBL1688039 0.77 SMN1; SMN2 (0.44) SMN1; SMN2HTTEGLN1PARP1CSNK2A1
SCHEMBL1285737 0.76 HTT (0.47) HTTPARP1DHODHRPS6KA3ADORA3

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12378232-B2 Cyclin dependent kinase inhibitors PFIZER INC. (US) 2025-08-05 US disclosed
EP-3784664-B1 2-AMINO-PYRIDINE OR 2-AMINO-PYRIMIDINE DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS PFIZER (US) 2025-02-19 EP disclosed
CN-118286225-A 2-Amino-pyridine or 2-amino-pyrimidine derivatives as cyclin dependent kinase inhibitors 辉瑞公司 2024-07-05 CN disclosed
CN-112313219-B 2-Amino-pyridine or 2-amino-pyrimidine derivatives as cyclin dependent kinase inhibitors 辉瑞公司 2024-04-26 CN disclosed
US-20220089580-A1 CYCLIN DEPENDENT KINASE INHIBITORS PFIZER INC. (US) 2022-03-24 US disclosed
US-11220494-B2 Cyclin dependent kinase inhibitors PFIZER INC. (US) 2022-01-11 US disclosed
US-11220494-B2 Cyclin dependent kinase inhibitors PFIZER INC. (US) 2022-01-11 US disclosed
CN-112313219-A 2-amino-pyridine or 2-amino-pyrimidine derivatives as cyclin dependent kinase inhibitors 辉瑞公司 2021-02-02 CN disclosed
US-20200354350-A1 CYCLIN DEPENDENT KINASE INHIBITORS PFIZER INC. (US) 2020-11-12 US disclosed
US-20200354350-A1 CYCLIN DEPENDENT KINASE INHIBITORS PFIZER INC. (US) 2020-11-12 US disclosed
US-10766884-B2 Cyclin dependent kinase inhibitors PFIZER INC. (US) 2020-09-08 US disclosed
US-20190330196-A1 CYCLIN DEPENDENT KINASE INHIBITORS PFIZER INC. (US) 2019-10-31 US disclosed
EP-2297163-B1 Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER (US) 2015-07-08 EP disclosed
US-8318762-B2 Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2012-11-27 US disclosed
EP-2297163-A1 PYRAZOLOSPIROKETONE ACETYL-C0A CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2011-03-23 EP disclosed
US-20110028390-A1 Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER, INC. (US) 2011-02-03 US disclosed
WO-2009144554-A1 PYRAZOLOSPIROKETONE ACETYL-C0A CARBOXYLASE INHIBITORS PFIZER, INC. (US) 2009-12-03 WO disclosed
US-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 WO 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-10766884-B2 Cyclin dependent kinase inhibitors CCNY, CCNI, CCNK SMN1; SMN2 4086/4885HTT 3590/4885EGLN1 2213/4885
US-20200354350-A1 CYCLIN DEPENDENT KINASE INHIBITORS CCNY, CCNI, CCNK SMN1; SMN2 4086/4885HTT 3590/4885EGLN1 2213/4885
US-12378232-B2 Cyclin dependent kinase inhibitors CCNY, CCNI, CCNK SMN1; SMN2 4086/4885HTT 3590/4885EGLN1 2213/4885
US-20190330196-A1 CYCLIN DEPENDENT KINASE INHIBITORS CCNY, CCNI, CCNK SMN1; SMN2 4086/4885HTT 3590/4885EGLN1 2213/4885
US-20110028390-A1 Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB SMN1; SMN2 3903/4885HTT 3419/4885EGLN1 1883/4885
US-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD SMN1; SMN2 1128/4885HTT 2992/4885EGLN1 997/4885
US-11220494-B2 Cyclin dependent kinase inhibitors CCNY, CCNI, CCNK SMN1; SMN2 4086/4885HTT 3590/4885EGLN1 2213/4885
US-20220089580-A1 CYCLIN DEPENDENT KINASE INHIBITORS CCNY, CCNI, CCNK SMN1; SMN2 4086/4885HTT 3590/4885EGLN1 2213/4885

“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.