SCHEMBL17382012

SCHEMBL17382012

Cc1cnn(C[C@@H](O)CO)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.39
JAK2 O60674 16/20 0.39
JAK1 P23458 16/20 0.39
TYK2 P29597 16/20 0.39
JAK3 P52333 16/20 0.39
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
PLAA Q9Y263 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL12460156 1.00 NOS1 (0.39) NOS1JAK2JAK1TYK2JAK3
SCHEMBL15986683 1.00 NOS1 (0.39) NOS1JAK2JAK1TYK2JAK3
SCHEMBL12460187 0.81 JAK2 (0.39) NOS1JAK2JAK1TYK2JAK3
SCHEMBL16478707 0.81 NOS1 (0.41) NOS1JAK2JAK1TYK2JAK3
SCHEMBL12179239 0.81 NOS1 (0.41) NOS1JAK2JAK1TYK2JAK3
SCHEMBL16478706 0.81 NOS1 (0.41) NOS1JAK2JAK1TYK2JAK3
SCHEMBL16940784 0.81 HPGD (0.43) NOS1JAK2JAK1TYK2JAK3
SCHEMBL16940762 0.81 HPGD (0.43) NOS1JAK2JAK1TYK2JAK3
SCHEMBL13165391 0.80 JAK2 (0.40) JAK2JAK1TYK2JAK3
SCHEMBL19321626 0.80 JAK2 (0.40) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3157929-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF ARES TRADING SA (CH) 2023-12-13 EP disclosed
US-20170253605-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2017-09-07 US disclosed
US-9433622-B2 Pyrimidine compounds useful in the treatment of diseases mediated by IKKE and/or TBK1 mechanisms CASE WESTERN RESERVE UNIVERSITY (US) 2016-09-06 US disclosed
US-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LIMITED (GB) 2016-01-07 US disclosed
WO-2015196759-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF TOCOPHERX, INC. (US) 2015-12-30 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 (2 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-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS TBK1, TBKBP1, TYMS NOS1 3043/4885JAK2 608/4885JAK1 112/4885
US-20170253605-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR NOS1 4155/4885JAK2 1967/4885JAK1 2223/4885

“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.