SCHEMBL998140

SCHEMBL998140

Brc1csc(Oc2ccccn2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
TSHR P16473 1/20 0.36
CYP19A1 P11511 1/20 0.36
PIN1 Q13526 1/20 0.34
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CCR1 P32246 2/20 0.33
CCR5 P51681 2/20 0.33
CCR8 P51685 2/20 0.33
HSP90AA1 P07900 2/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
METAP1 P53582 1/20 0.33
BLM P54132 1/20 0.33
HIF1A Q16665 1/20 0.33
DOHH Q9BU89 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL998005 0.75 GRM5 (0.43) KDM4ESMN1; SMN2CCR1CCR8CYP1A2
SCHEMBL6122699 0.75 NPC1 (0.42) KDM4ETSHRSMN1; SMN2HTTCYP1A2
SCHEMBL28576132 0.72 KDM4E (0.42) KDM4ETSHRPIN1LMNASMN1; SMN2
SCHEMBL1049256 0.71 GRM4 (0.57) KDM4ECYP19A1LMNASMN1; SMN2TDP1
SCHEMBL409030 0.71 KDM4E (0.55) KDM4ETSHRPIN1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL28670387 0.69 KDM4E (0.53) KDM4ETSHRPIN1LMNASMN1; SMN2
Phosphine SCHEMBL17979775 0.69 KDM4E (0.53) KDM4ETSHRPIN1LMNASMN1; SMN2
SCHEMBL22858247 0.68 MAOB (0.41) TSHRLMNASMN1; SMN2TDP1CYP1A2
SCHEMBL12129562 0.68 KDM4E (0.58) KDM4ETSHRPIN1LMNASMN1; SMN2
Ethylene SCHEMBL27741856 0.67 KDM4E (0.52) KDM4ETSHRPIN1LMNASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513252-B2 Pyrazole derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-08-20 US disclosed
EP-2456769-B1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-06-26 EP disclosed
EP-2456769-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2012-05-30 EP disclosed
US-20120122907-A1 Novel Pyrazole Derivatives and their use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors NISSAN MOTOR CO., LTD. (JP) 2012-05-17 US disclosed
WO-2011010222-A1 NOVEL PYRAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2011-01-27 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-20120122907-A1 Novel Pyrazole Derivatives and their use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM1, GRM4, GRM3 KDM4E 1771/4885TSHR 703/4885CYP19A1 3145/4885

“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.