SCHEMBL2598798

SCHEMBL2598798

CC(C)(C)[Si](OCc1cccnc1N)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
BACE1 P56817 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SMYD2 Q9NRG4 2/20 0.32
TKT P29401 3/20 0.32
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
NAPRT Q6XQN6 1/20 0.32

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
SCHEMBL5465604 0.79 BACE1 (0.39) LTA4HMAPK14KDM1AMAOAMAOB
SCHEMBL21543547 0.76 IDO1 (0.38) ALDH1A1HTTGRM5GRM1
SCHEMBL21639770 0.76 AOC1 (0.45) KDM4EALDH1A1
SCHEMBL9566297 0.76 IDO1 (0.33) HTTSMN1; SMN2SMYD2
SCHEMBL4822404 0.76 PDCD1 (0.34) BACE1HTTSMN1; SMN2SMYD2
SCHEMBL4821504 0.76 SMYD2 (0.33) HTTSMN1; SMN2SMYD2
SCHEMBL3598198 0.75 ALOX5AP (0.41) KDM4EHTTSMN1; SMN2SMYD2GRM5
SCHEMBL23201480 0.75 SMYD2 (0.33) HTTSMN1; SMN2SMYD2
SCHEMBL27610986 0.75 IDO1 (0.51) NPC1RAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL3421369 0.74 CHRM2 (0.53) KDM1ANPC1RAB9AKDM4EALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515956-B Benzimidazole derivative, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-06-25 CN disclosed
CN-115515956-A Benzimidazole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-12-23 CN disclosed
CN-110003209-B Macrocyclic compounds as TRK kinase inhibitors 阵列生物制药公司 2022-01-25 CN disclosed
US-20200291026-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. 2020-09-17 US disclosed
US-10647730-B2 Macrocyclic compounds as TRK kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-05-12 US disclosed
EP-3521291-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2019-08-07 EP disclosed
US-20190031684-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-01-31 US disclosed
US-9902741-B2 Macrocyclic compounds as TRK kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-02-27 US disclosed
US-9840519-B2 Macrocyclic compounds as TRK kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-12-12 US disclosed
US-20170283435-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-10-05 US disclosed
US-20170112842-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-27 US disclosed
US-20170107232-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-20 US disclosed
US-9493476-B2 Macrocyclic compounds as trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2016-11-15 US disclosed
US-20150336970-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2015-11-26 US disclosed
EP-2918588-A1 Macrocyclic compounds as TRK kinase inhibitors Array Biopharma, Inc. (US) 2015-09-16 EP disclosed
US-8933084-B2 Macrocyclic compounds as Trk kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-01-13 US disclosed
EP-2571883-B1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-01-07 EP disclosed
US-20130203776-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2013-08-08 US disclosed
EP-2571883-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2013-03-27 EP disclosed
WO-2011146336-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-11-24 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 (8 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-20130203776-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 LTA4H 4443/4885MAPK14 157/4885KDM1A 1941/4885
US-20200291026-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 LTA4H 4443/4885MAPK14 157/4885KDM1A 1941/4885
US-20190031684-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 LTA4H 4407/4885MAPK14 158/4885KDM1A 1924/4885
US-20170283435-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 LTA4H 4443/4885MAPK14 157/4885KDM1A 1941/4885
US-20150336970-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 LTA4H 4418/4885MAPK14 178/4885KDM1A 2100/4885
US-10647730-B2 Macrocyclic compounds as TRK kinase inhibitors MAP3K20, MAP3K1, MAP3K3 LTA4H 4407/4885MAPK14 158/4885KDM1A 1924/4885
US-20170107232-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 LTA4H 4515/4885MAPK14 169/4885KDM1A 1827/4885
US-20170112842-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K3 LTA4H 4443/4885MAPK14 157/4885KDM1A 1941/4885

“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.