SCHEMBL9971537

SCHEMBL9971537

O=Nc1cn[nH]c1C1CCC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.35
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
HCAR2 Q8TDS4 1/20 0.31
ACVR1 Q04771 1/20 0.31

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
SCHEMBL21961391 0.62 HPGDS (0.44) HPGDSHCAR2ACVR1
SCHEMBL14387558 0.61
SCHEMBL21816205 0.60 HCAR2 (0.43) HPGDSHCAR2ACVR1
SCHEMBL21961392 0.59 HPGDS (0.38) HPGDSACVR1
SCHEMBL9971597 0.59 KDM4E (0.30)
SCHEMBL22413217 0.59 TDO2 (0.41) HPGDSJAK2JAK1TYK2JAK3
SCHEMBL23344298 0.58 GAA (0.41) HPGDSACVR1
SCHEMBL21849265 0.58 HPGDS (0.40) HPGDSACVR1
SCHEMBL16400349 0.57 HCAR2 (0.36) HCAR2
SCHEMBL24087852 0.56 JAK2 (0.43) JAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 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 (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-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 HPGDS 4031/4885JAK2 315/4885JAK1 580/4885

“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.