SCHEMBL8050846

SCHEMBL8050846

N=C(N)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHIA Q9BZP6 1/20 1.00
MAPT P10636 3/20 0.58
KDM4E B2RXH2 2/20 0.58
AKR1C3 P42330 6/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.56
HPGD P15428 2/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
F2 P00734 2/20 0.53
PRSS1 P07477 2/20 0.53
PRSS2 P07478 2/20 0.53
PRSS3 P35030 2/20 0.53
TMPRSS6 Q8IU80 2/20 0.53
ST14 Q9Y5Y6 2/20 0.53
CYP17A1 P05093 1/20 0.52
CYP21A2 P08686 1/20 0.52
CYP11B1 P15538 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51

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
Trifluoroacetic Acid SCHEMBL17894523 0.87 CHIA (0.75) CHIAMAPTKDM4EAKR1C3ALDH1A1
SCHEMBL24669976 0.83 CHIA (0.71) CHIAMAPTKDM4EALDH1A1LMNA
SCHEMBL3174172 0.81 CHIA (0.69) CHIAMAPTAKR1C3ALDH1A1LMNA
SCHEMBL3118376 0.81 CHIA (0.69) CHIAMAPTKDM4EAKR1C3ALDH1A1
SCHEMBL15903148 0.81 CHIA (0.69) CHIAMAPTKDM4EAKR1C3ALDH1A1
SCHEMBL15450364 0.81 CHIA (0.69) CHIAMAPTKDM4EALDH1A1LMNA
SCHEMBL13158619 0.81 CHIA (0.69) CHIAMAPTKDM4EALDH1A1LMNA
SCHEMBL8337718 0.81 CHIA (0.68) CHIAMAPTKDM4EAKR1C3ALDH1A1
SCHEMBL29998630 0.79 HTR3E (0.70) CHIAMAPTKDM4EAKR1C3ALDH1A1
SCHEMBL870704 0.79 HTR3E (0.70) CHIAMAPTKDM4EAKR1C3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US claimed
EP-3240775-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS Swansea University (GB) 2017-11-08 EP claimed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 2016-07-07 WO claimed
US-8653282-B2 Preparation of dihydrothieno [3,2-D] pyrimidines and intermediates used therein BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-8653282-B2 Preparation of dihydrothieno [3,2-D] pyrimidines and intermediates used therein BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
WO-2009052138-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 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 (2 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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB CHIA 281/4885MAPT 4304/4885KDM4E 3336/4885
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN DPYD, TYMS, DHFR CHIA 4314/4885MAPT 3575/4885KDM4E 2607/4885

“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.