Sugi Predict

Sugi Predict / Compounds / SCHEMBL1048977

SCHEMBL1048977

SCHEMBL1048977

COc1ccc(Cn2cc(-c3csc(Oc4ncccn4)n3)c(C)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.39
▸ RAB9A P51151 4/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ CYP19A1 P11511 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CCNK O75909 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ NFKB1 P19838 2/20 0.35
▸ NFKB2 Q00653 2/20 0.35
▸ RELA Q04206 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ OPRK1 P41145 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL1051258 0.80 RECQL (0.44) RECQLRAB9AMEN1KMT2ANPC1
SCHEMBL4237882 0.76 MEN1 (0.57) RECQLRAB9AMEN1KMT2ANPC1
SCHEMBL3703227 0.74 TGFBR1 (0.36) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL998452 0.72 TGFBR1 (0.35) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL2535401 0.71 NPC1 (0.60) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL1051473 0.71 MEN1 (0.41) RAB9AMEN1KMT2ANPC1CYP19A1
SCHEMBL370879 0.71 MEN1 (0.44) RECQLRAB9AMEN1KMT2ANPC1
SCHEMBL3354435 0.70 NPC1 (0.58) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL1048540 0.69 LMNA (0.34) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL3357298 0.69 MEN1 (0.43) RAB9AMEN1KMT2ANPC1CYP19A1

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 RECQL 2775/4885RAB9A 2294/4885MEN1 3677/4885

“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.