Sugi Predict

Sugi Predict / Compounds / SCHEMBL9897544

SCHEMBL9897544

SCHEMBL9897544

Brc1c(Oc2ncccc2CN2CCCC2)ccc2c1nnn2CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 14/20 0.44
▸ KDM4E B2RXH2 3/20 0.35
▸ TP53 P04637 3/20 0.35
▸ ALOX12 P18054 3/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MPI P34949 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ BRD4 O60885 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
SCHEMBL9895672 0.99 GRM2 (0.43) GRM2KDM4ETP53ALOX12L3MBTL1
SCHEMBL9895323 0.93 GRM2 (0.43) GRM2LMNAALDH1A1
SCHEMBL9895169 0.93 GRM2 (0.43) GRM2MAPTKEAP1NFE2L2
SCHEMBL9897925 0.93 GRM2 (0.43) GRM2KDM4ETP53ALOX12L3MBTL1
SCHEMBL9897691 0.92 GRM2 (0.42) GRM2KDM4EMAPT
SCHEMBL9897470 0.92 GRM2 (0.42) GRM2KEAP1NFE2L2
SCHEMBL9898428 0.92 GRM2 (0.42) GRM2KDM4ETP53L3MBTL1HTT
SCHEMBL9896488 0.91 GRM2 (0.40) GRM2KDM4ENPSR1ALDH1A1KEAP1
SCHEMBL9895971 0.91 GRM2 (0.41) GRM2KEAP1NFE2L2
SCHEMBL9895897 0.91 GRM2 (0.41) GRM2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 — — US claimed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 — — US claimed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 — — US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 — — US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 — — US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 — — US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 — — US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 — — 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-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 GRM2 1/4885KDM4E 1441/4885TP53 4865/4885

“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.