SCHEMBL16246107

SCHEMBL16246107

Nc1cnc(Cl)nc1Nc1ccc(OCCBr)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ PIN1 Q13526 3/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ SYK P43405 1/20 0.35
▸ BACE1 P56817 2/20 0.34
▸ AXL P30530 1/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ SCN5A Q14524 3/20 0.34
▸ SCN9A Q15858 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ BCL6 P41182 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GAA P10253 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
SCHEMBL16012041 0.86 SYK (0.44) MEN1KMT2AKDM4ENFKB1SYK
SCHEMBL18869078 0.82 MEN1 (0.40) MEN1KMT2AKDM4ENFKB1PIN1
SCHEMBL18869374 0.82 JAK2 (0.44) MEN1KMT2APIN1SCN5AMAPT
SCHEMBL16012129 0.81 SYK (0.44) MEN1KMT2AKDM4ENFKB1BRD4
SCHEMBL15147773 0.81 MAPT (0.53) MEN1KMT2AKDM4ESYKMAPT
SCHEMBL16245606 0.79 PIN1 (0.64) MEN1KMT2APIN1MAPTEGFR
SCHEMBL16012862 0.79 MEN1 (0.48) MEN1KMT2AKDM4EPIN1MAPT
SCHEMBL6507541 0.78 ADORA3 (0.46) MEN1KMT2APIN1KCNH2SCN5A
SCHEMBL16264901 0.78 MEN1 (0.41) MEN1KMT2AKDM4EPIN1MAPT
SCHEMBL17827716 0.78 SYK (0.57) MEN1KMT2AKDM4ENFKB1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9861635-B2 Macrocycles as kinase inhibitors MERCK PATENT GMBH (DE) 2018-01-09 — — US disclosed
US-9861635-B2 Macrocycles as kinase inhibitors MERCK PATENT GMBH (DE) 2018-01-09 — — US disclosed
EP-2994471-B1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2017-05-17 — — EP disclosed
EP-2994471-B1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2017-05-17 — — EP disclosed
US-20160166574-A1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2016-06-16 — — US disclosed
US-20160166574-A1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2016-06-16 — — US disclosed
US-20160166574-A1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2016-06-16 — — US disclosed
EP-2994471-A1 MACROCYCLES AS KINASE INHIBITORS Merck Patent GmbH (DE) 2016-03-16 — — EP disclosed
WO-2014180524-A1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-11-13 — — 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-20160166574-A1 MACROCYCLES AS KINASE INHIBITORS EIF2AK4, CDK2, CDK1 MEN1 1118/4885KMT2A 1360/4885KDM4E 1965/4885

“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.

Send feedback