SCHEMBL4784590

SCHEMBL4784590

Clc1ccc2nnc(-c3cccs3)n2n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.59
LRRK2 Q5S007 9/20 0.54
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 2/20 0.49
ALOX15 P16050 1/20 0.49
CLK1 P49759 1/20 0.49
POLB P06746 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48

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
SCHEMBL12912267 0.83 RXFP1 (0.64) RXFP1LRRK2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15526692 0.81 RXFP1 (0.59) RXFP1LRRK2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15526870 0.79 RXFP1 (0.60) RXFP1LRRK2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15526764 0.78 RXFP1 (0.55) RXFP1LRRK2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15526726 0.78 RXFP1 (0.59) RXFP1LRRK2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL12891166 0.78 RXFP1 (0.59) RXFP1LRRK2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15526662 0.78 RXFP1 (0.74) RXFP1LRRK2ALDH1A1KDM4ECRHBP
SCHEMBL15526835 0.78 LRRK2 (0.57) RXFP1LRRK2ALDH1A1KDM4ESMN1; SMN2
Benzene SCHEMBL4785659 0.77 RXFP1 (0.54) RXFP1LRRK2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15365190 0.75 PIM1 (0.57) RXFP1LRRK2ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844660-B1 TRIAZOLOPYRIDAZINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF SOUTHERN RES INST (US) 2017-11-01 EP disclosed
US-9187484-B2 Triazolopyridazine compounds, use as inhibitors of the kinase LRRK2, and methods for preparation thereof SOUTHERN RESEARCH INSTITUTE (US) 2015-11-17 US disclosed
EP-2844660-A1 TRIAZOLOPYRIDAZINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF Southern Research Institute (US) 2015-03-11 EP disclosed
WO-2013166276-A1 TRIAZOLOPYRIDAZINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2013-11-07 WO disclosed
US-20130296298-A1 TRIAZOLOPYRIDAZINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF THE UAB RESEARCH FOUNDATION (US) 2013-11-07 US disclosed
WO-2008069500-A1 TRIAZOLOPYRIDAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-12 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 (1 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-20130296298-A1 TRIAZOLOPYRIDAZINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF LRRK2, PINK1, CLK2 RXFP1 4352/4885LRRK2 1/4885ALDH1A1 3634/4885

“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.