SCHEMBL2230513

SCHEMBL2230513

CN(C)c1ccc(Cl)cc1N

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.96
KMT2A Q03164 2/20 0.96
CYP3A4 P08684 4/20 0.52
TSHR P16473 3/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALOX15 P16050 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPK1 P28482 2/20 0.52
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.50
HPGD P15428 2/20 0.46
ALOX12 P18054 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CHEK1 O14757 1/20 0.42
NEK2 P51955 1/20 0.42
LIMK1 P53667 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
FSCN1 Q16658 1/20 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
Hydrochloric Acid SCHEMBL2217149 0.98 GAA (1.00) GAAKMT2ACYP3A4TSHRALDH1A1
SCHEMBL24651364 0.84 GAA (0.70) GAAKMT2ACYP3A4TSHRALDH1A1
SCHEMBL7785932 0.84 GAA (0.69) GAAKMT2ACYP3A4TSHRALDH1A1
SCHEMBL3214529 0.82 GAA (0.67) GAAKMT2ACYP3A4TSHRALDH1A1
SCHEMBL3789565 0.78 GAA (0.61) GAAKMT2ACYP3A4TSHRALDH1A1
SCHEMBL26122613 0.77 KMT2A (0.59) GAAKMT2ACYP3A4TSHRALDH1A1
SCHEMBL3524418 0.77 GAA (0.59) GAAKMT2ACYP3A4TSHRALDH1A1
SCHEMBL11762968 0.77 FSCN1 (0.69) GAAKMT2ACYP3A4TSHRALDH1A1
SCHEMBL2616324 0.76 GAA (0.59) GAAKMT2ACYP3A4TSHRTDP1
SCHEMBL7406313 0.76 GAA (0.59) GAAKMT2ACYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP claimed
US-20240067600-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIVERSITY OF KANSAS (US) 2024-02-29 US disclosed
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIV KANSAS (US) 2022-12-15 US disclosed
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) UNIVERSITY OF KANSAS (US) 2020-12-15 US disclosed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US disclosed
US-20180282264-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIVERSITY OF KANSAS 2018-10-04 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP disclosed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US disclosed
US-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2001-07-17 US disclosed
US-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed
US-6255349-B1 PREVENTION REPRODUCTION; VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 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 (7 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-20240067600-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 GAA 2047/4885KMT2A 4536/4885CYP3A4 1451/4885
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 GAA 4543/4885KMT2A 597/4885CYP3A4 2599/4885
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 GAA 2047/4885KMT2A 4536/4885CYP3A4 1451/4885
US-20180282264-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 GAA 2047/4885KMT2A 4536/4885CYP3A4 1451/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 GAA 4543/4885KMT2A 597/4885CYP3A4 2599/4885
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) MTCH2, TIMM50, TIMM10 GAA 2047/4885KMT2A 4536/4885CYP3A4 1451/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 GAA 4543/4885KMT2A 597/4885CYP3A4 2599/4885

“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.