Sugi Predict

Sugi Predict / Compounds / SCHEMBL3359286

SCHEMBL3359286

SCHEMBL3359286

CC(C)C(=O)n1cc(-c2nsc(Nc3ccccn3)n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.46
▸ RAB9A P51151 10/20 0.46
▸ SMN1; SMN2 Q16637 7/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ LMNA P02545 4/20 0.46
▸ KDR P35968 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ MPL P40238 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL2507017 0.81 GRM4 (0.54) NPC1RAB9ASMN1; SMN2LMNAKDR
SCHEMBL4235797 0.78 KDR (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4239760 0.76 MET (0.38) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4241649 0.73 GRK2 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4236523 0.72 EGFR (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL4234156 0.71 EGFR (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4243830 0.71 EGFR (0.39) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2536322 0.69 GRM4 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4239119 0.69 MEN1 (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2511669 0.69 GRM4 (0.54) NPC1RAB9ASMN1; SMN2LMNAKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-10 — — US claimed
US-8524718-B2 Heteroaromatic derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 — — US disclosed
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE (CH) 2012-12-27 — — US disclosed
US-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-10 — — 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 (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-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM4, GRM2 NPC1 2378/4885RAB9A 2813/4885SMN1; SMN2 2193/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 NPC1 2504/4885RAB9A 3067/4885SMN1; SMN2 2412/4885

“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.