SCHEMBL5778409

SCHEMBL5778409

Cc1nc2c(Cl)nc(Cl)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
ALDH1A1 P00352 1/20 0.43
DHODH Q02127 5/20 0.36
CSNK2A1 P68400 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PARP1 P09874 3/20 0.35
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
ADRB2 P07550 1/20 0.33

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
SCHEMBL29491150 1.00 HTT (0.56) HTTALDH1A1DHODHCSNK2A1ADORA3
SCHEMBL20595560 0.84 HTT (0.56) HTTALDH1A1DHODHCSNK2A1ADORA3
SCHEMBL5778738 0.76 HTT (0.50) HTTALDH1A1ADORA3SMN1; SMN2
SCHEMBL18050722 0.73 AR (0.33) HTTPARP1
SCHEMBL8265249 0.72 HTT (0.72) HTTALDH1A1DHODHCSNK2A1ADORA3
SCHEMBL9505753 0.72 HTT (1.00) HTTALDH1A1DHODHADORA3PARP1
SCHEMBL20309767 0.71 HTT (0.59) HTTALDH1A1DHODHCSNK2A1ADORA3
SCHEMBL9386592 0.71 HTT (0.46) HTTALDH1A1CSNK2A1ADORA3PARP1
SCHEMBL22224334 0.70 HTT (0.42) HTTALDH1A1
SCHEMBL5355856 0.69 HTT (0.68) HTTALDH1A1DHODHCSNK2A1ADORA3

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
EP-3831383-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-06-09 EP disclosed
EP-3283077-B1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2021-03-10 EP disclosed
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed
US-10807982-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-10-20 US disclosed
US-20200223851-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ, INC. 2020-07-16 US disclosed
EP-3472147-B1 AZABENZIMIDAZOLE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-06-17 EP disclosed
US-20200071332-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-03-05 US disclosed
US-20190263804-A1 AZABENZIMIDAZOLE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-08-29 US disclosed
US-20180134710-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-17 US disclosed
US-9908885-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
EP-3283077-A2 BROMODOMAIN INHIBITOR Celgene Quanticel Research, Inc. (US) 2018-02-21 EP disclosed
WO-2017216293-A1 AZABENZIMIDAZOLE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 WO disclosed
US-20170050968-A1 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. 2017-02-23 US disclosed
WO-2016168682-A2 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. (US) 2016-10-20 WO disclosed
EP-1472254-A4 PURINE AND ISOSTERIC ANTIBACTERIAL COMPOUNDS GLSYNTHESIS INC (US) 2006-02-15 EP disclosed
US-6926763-B2 Purine and isosteric antibacterial compounds GLSYNTHESIS, INC. (US) 2005-08-09 US disclosed
EP-1472254-A2 PURINE AND ISOSTERIC ANTIBACTERIAL COMPOUNDS Glsynthesis Inc. (US) 2004-11-03 EP disclosed
US-20040014773-A1 Purine and isosteric antibacterial compounds ACURX PHARMACEUTICALS, LLC 2004-01-22 US disclosed
WO-2003066586-A2 PURINE AND ISOSTERIC ANTIBACTERIAL COMPOUNDS GLSYNTHESIS INC. (US) 2003-08-14 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-20190263804-A1 AZABENZIMIDAZOLE DERIVATIVES AS PI3K BETA INHIBITORS PIK3CD, PIK3CB, PIK3CA HTT 4030/4885ALDH1A1 1422/4885DHODH 607/4885
US-20200071332-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 HTT 1978/4885ALDH1A1 3316/4885DHODH 2497/4885
US-20040014773-A1 Purine and isosteric antibacterial compounds MTAP, AMPD3, MPG HTT 2965/4885ALDH1A1 2828/4885DHODH 494/4885
US-20170050968-A1 BROMODOMAIN INHIBITOR BRD3, BRPF3, EP300 HTT 2084/4885ALDH1A1 3261/4885DHODH 2455/4885
US-10807982-B2 Bromodomain inhibitors BRD3, EP300, BRPF3 HTT 1978/4885ALDH1A1 3316/4885DHODH 2497/4885
US-20200223851-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, CKMT1A; CKMT1B HTT 93/4885ALDH1A1 1361/4885DHODH 1008/4885
US-20180134710-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 HTT 1978/4885ALDH1A1 3316/4885DHODH 2497/4885

“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.