SCHEMBL1935622

SCHEMBL1935622

Clc1ncc(Cl)c(N2CCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.45
ALDH1A1 P00352 3/20 0.44
ABL1 P00519 7/20 0.43
BCR P11274 7/20 0.43
RPS6KA5 O75582 2/20 0.41
RPS6KA4 O75676 1/20 0.41
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HCRTR2 O43614 1/20 0.39
CHRM4 P08173 1/20 0.38
GLP1R P43220 1/20 0.38

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
SCHEMBL1935919 0.98 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1ABL1BCR
SCHEMBL1935226 0.96 SMN1; SMN2 (0.49) SMN1; SMN2MAPTALDH1A1ABL1BCR
SCHEMBL17059203 0.85 ALDH1A1 (0.46) SMN1; SMN2MAPTALDH1A1KDM4ETSHR
SCHEMBL1935491 0.83 KDM4E (0.46) SMN1; SMN2MAPTALDH1A1ABL1BCR
SCHEMBL1491746 0.83 SMN1; SMN2 (0.71) SMN1; SMN2MAPTABL1BCRHSD17B10
SCHEMBL1936857 0.83 POLB (0.49) SMN1; SMN2MAPTALDH1A1ABL1BCR
SCHEMBL15412877 0.83 ADRB2 (0.49) SMN1; SMN2MAPTALDH1A1KDM4EHSD17B10
SCHEMBL15584145 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1ABL1BCR
SCHEMBL22836976 0.81 SMN1; SMN2 (0.73) SMN1; SMN2MAPTALDH1A1ABL1BCR
SCHEMBL30919741 0.80 HCRTR2 (0.47) SMN1; SMN2MAPTALDH1A1ABL1BCR

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 61 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-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-20110245284-A1 Alkoxy- and Alkylthio-Substituted Anilinopyrimidines BAYER CROPSCIENCE AG (DE) 2011-10-06 US disclosed
US-20110245242-A1 Heterocyclically Substituted Anilinopyrimides BAYER CROPSCIENCE AG (DE) 2011-10-06 US disclosed
EP-2331512-A1 ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025833-A1 ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES 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-20110245284-A1 Alkoxy- and Alkylthio-Substituted Anilinopyrimidines HAX1, AGPS, PYM1 SMN1; SMN2 4287/4885MAPT 1978/4885ALDH1A1 579/4885
US-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS LRRK2, PARK7, PKN2 SMN1; SMN2 211/4885MAPT 428/4885ALDH1A1 1864/4885
US-20110245242-A1 Heterocyclically Substituted Anilinopyrimides H1-10, POLL, PPM1D SMN1; SMN2 3874/4885MAPT 3166/4885ALDH1A1 731/4885

“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.