SCHEMBL4095134

SCHEMBL4095134

Clc1nc(N2CCOCC2)c2ccccc2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.69
MAPT P10636 3/20 0.69
ALDH1A1 P00352 7/20 0.68
HPGD P15428 5/20 0.68
GLA P06280 1/20 0.68
GAA P10253 1/20 0.68
LMNA P02545 5/20 0.60
HTT P42858 4/20 0.60
MAPK1 P28482 7/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
POLB P06746 1/20 0.60
ALOX15 P16050 4/20 0.59
USP2 O75604 4/20 0.59
CYP1A2 P05177 4/20 0.59
CYP3A4 P08684 4/20 0.59
CLK4 Q9HAZ1 4/20 0.59
TSHR P16473 4/20 0.59
CYP2C19 P33261 2/20 0.59

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
SCHEMBL8381868 0.85 L3MBTL1 (0.66) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL29161535 0.85 L3MBTL1 (0.61) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL30774303 0.85 L3MBTL1 (0.66) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL3641468 0.84 L3MBTL1 (0.69) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL1089156 0.84 L3MBTL1 (0.69) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL11738520 0.83 ALDH1A1 (0.97) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL1772534 0.83 KDM4E (0.71) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL3776763 0.82 SMN1; SMN2 (0.61) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL17565791 0.82 SMN1; SMN2 (0.61) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL7324699 0.81 ABCB1 (0.49) KDM4EMAPTALDH1A1HPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2854804-B1 PYRROLIDINO HETEROCYCLES HOFFMANN LA ROCHE (CH) 2019-11-20 EP disclosed
US-9540384-B2 Pyrrolidino heterocycles HOFFMANN-LA ROCHE, INC. (US) 2017-01-10 US disclosed
US-9115092-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ASANA BIOSCIENCES, LLC (US) 2015-08-25 US disclosed
EP-2854804-A1 PYRROLIDINO HETEROCYCLES F. Hoffmann-La Roche AG (CH) 2015-04-08 EP disclosed
US-20150087644-A1 PYRROLIDINO HETEROCYCLES HOFFMANN-LA ROCHE INC. (US) 2015-03-26 US disclosed
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ASANA BIOSCIENCES, LLC (US) 2015-01-08 US disclosed
US-20140073782-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives ENDO PHARMACEUTICALS INC. (US) 2014-03-13 US disclosed
WO-2013178569-A1 PYRROLIDINO HETEROCYCLES F. HOFFMANN-LA ROCHE AG (CH) 2013-12-05 WO disclosed
US-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-07-25 US disclosed
US-8440662-B2 Substituted quinazoline and pyrido-pyrimidine derivatives ENDO PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
EP-1778670-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM Pharma A/S (DK) 2007-05-02 EP disclosed
WO-2006010446-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2006-02-02 WO disclosed
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed
EP-0535104-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1996-09-04 EP disclosed
US-5371080-A Central nervous system disorders NOVO NORDISK A/S 1994-12-06 US disclosed
US-5276028-A Psychological disorders, anticonvulsants, anxiolytic or hypnotics and cognition activators NORDISK A/S (DK) 1994-01-04 US disclosed
EP-0535104-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE. NOVO NORDISK AS (DK) 1993-04-07 EP disclosed
WO-1992000298-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-01-09 WO disclosed
US-4048312-A 2,4-Diaminoquinazolines as antithrombotic agents ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-3956495-A 2,4-Diaminoquinazolines as antithrombotic agents ELI LILLY AND COMPANY (US) 1976-05-11 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 (4 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-20140073782-A1 Substituted Quinazoline and Pyrido-Pyrimidine Derivatives MTOR, PIK3CA, PDPK1 KDM4E 739/4885MAPT 3544/4885ALDH1A1 3589/4885
US-20130190492-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, PDPK1 KDM4E 739/4885MAPT 3544/4885ALDH1A1 3589/4885
US-20150087644-A1 PYRROLIDINO HETEROCYCLES PDE3A, PDE3B, PDE2A KDM4E 1810/4885MAPT 4639/4885ALDH1A1 159/4885
US-20150011547-A1 SUBSTITUTED QUINAZOLINE AND PYRIDO-PYRIMIDINE DERIVATIVES MTOR, PIK3CA, PDPK1 KDM4E 739/4885MAPT 3544/4885ALDH1A1 3589/4885

“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.