SCHEMBL1937307

SCHEMBL1937307

CC(C)CNc1nc(Cl)ncc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.49
STK17B O94768 2/20 0.44
STK17A Q9UEE5 2/20 0.44
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
LRRK2 Q5S007 1/20 0.37
BCL6 P41182 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
LATS1 O95835 1/20 0.36
LATS2 Q9NRM7 1/20 0.36
CHRM4 P08173 1/20 0.36
ACP1 P24666 1/20 0.36
MAP4K4 O95819 1/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
SLC29A1 Q99808 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
SCHEMBL20652230 0.86 STK17A (0.42) ESR1STK17BSTK17AALDH1A1L3MBTL1
SCHEMBL1937173 0.85 STK17A (0.41) ESR1STK17BSTK17AALDH1A1L3MBTL1
SCHEMBL4144113 0.83 ESR1 (0.46) ESR1STK17BSTK17AALDH1A1L3MBTL1
SCHEMBL1936022 0.83 STK17A (0.48) ESR1STK17BSTK17AALDH1A1L3MBTL1
SCHEMBL1935123 0.82 ALDH1A1 (0.41) STK17BSTK17AALDH1A1L3MBTL1MAP4K4
SCHEMBL18168128 0.80 ESR1 (0.44) ESR1STK17BSTK17AALDH1A1L3MBTL1
SCHEMBL1443776 0.80 BCL6 (0.44) ESR1STK17AALDH1A1L3MBTL1POLB
SCHEMBL1935303 0.79 STK17B (0.47) STK17BSTK17AALDH1A1L3MBTL1
SCHEMBL4768126 0.79 CNR1 (0.46) ESR1ALDH1A1L3MBTL1LRRK2MAPT
SCHEMBL2061199 0.79 STK17B (0.40) ESR1STK17BSTK17AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3075730-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2018-10-24 EP disclosed
EP-2785699-B1 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE GENENTECH INC (US) 2017-09-06 EP disclosed
EP-2785699-B1 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE GENENTECH INC (US) 2017-09-06 EP disclosed
EP-2807152-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-07-19 EP disclosed
EP-2807152-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-07-19 EP disclosed
EP-2785709-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-05-10 EP disclosed
EP-2785709-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-05-10 EP disclosed
EP-3121173-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-01-25 EP disclosed
EP-3121174-A1 2-(PHENYL OR PYRID-3-YL) AMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE F. Hoffmann-La Roche AG (CH) 2017-01-25 EP disclosed
EP-3121174-A1 2-(PHENYL OR PYRID-3-YL) AMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE F. Hoffmann-La Roche AG (CH) 2017-01-25 EP disclosed
US-20130096102-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-04-18 US disclosed
US-8354420-B2 Aminopyrimidine derivatives as LRRK2 inhibitors GENENTECH, INC. (US) 2013-01-15 US disclosed
US-8354420-B2 Aminopyrimidine derivatives as LRRK2 inhibitors GENENTECH, INC. (US) 2013-01-15 US disclosed
US-8354420-B2 Aminopyrimidine derivatives as LRRK2 inhibitors GENENTECH, INC. (US) 2013-01-15 US disclosed
US-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS GENENTECH, INC. (US) 2011-12-08 US disclosed
US-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS GENENTECH, INC. (US) 2011-12-08 US disclosed
US-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS GENENTECH, INC. (US) 2011-12-08 US disclosed
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US disclosed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 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 (3 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-20130096102-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, P2RX6 ESR1 3276/4885STK17B 740/4885STK17A 1000/4885
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C ESR1 4192/4885STK17B 3187/4885STK17A 2888/4885
US-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS LRRK2, PARK7, PKN2 ESR1 3367/4885STK17B 686/4885STK17A 876/4885

“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.