SCHEMBL16023769

SCHEMBL16023769

CC(C)(C)OC(=O)NC1CCC(n2cc(N)cn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 10/20 0.45
▸ JAK2 O60674 7/20 0.45
▸ KDM1A O60341 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DRD2 P14416 2/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ RET P07949 1/20 0.40
▸ CTSK P43235 2/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PRKDC P78527 1/20 0.39

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
SCHEMBL15199671 1.00 JAK1 (0.45) JAK1JAK2KDM1AMAOBCKS1B
SCHEMBL3956906 0.85 JAK1 (0.45) JAK1JAK2KDM1AMAOBCKS1B
SCHEMBL16023809 0.82 DDB1 (0.42) JAK2CKS1BSKP1SKP2IRAK4
SCHEMBL16023815 0.81 DRD2 (0.46) JAK1JAK2KDM1AMAOBCKS1B
SCHEMBL15190980 0.80 SMYD3 (0.43) JAK3PIK3CA
SCHEMBL15190981 0.80 SMYD3 (0.43) JAK3PIK3CA
SCHEMBL29987805 0.80 CACNB4 (0.46) JAK1JAK2KDM1AMAOBCKS1B
SCHEMBL17619674 0.80 JAK1 (0.42) JAK1JAK2KDM1AMAOBCKS1B
SCHEMBL3948105 0.78 USP30 (0.44) JAK1JAK2KDM1AMAOBCKS1B
SCHEMBL29339874 0.78 USP30 (0.44) JAK1JAK2KDM1AMAOBCKS1B

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-9617266-B2 Imidazopyrimidine derivatives MERCK PATENT GMBH (DE) 2017-04-11 — — US disclosed
EP-2964648-B1 9-(ARYL OR HETEROARYL)-2-(PYRAZOLYL, PYRROLIDINYL OR CYCLOPENTYL)AMINOPURINE DERIVATIVES AS ANTICANCER AGENTS MERCK PATENT GMBH (DE) 2016-11-16 — — EP disclosed
US-20160002242-A1 IMIDAZOPYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-07 — — US disclosed
CN-105026397-A 9-(aryl or heteroaryl)-2-(pyrazolyl, pyrrolidinyl or cyclopentyl)aminopurine derivatives as anticancer agents MERCK PATENT GMBH 2015-11-04 — — CN disclosed
WO-2014135245-A1 9-(ARYL OR HETEROARYL)-2-(PYRAZOLYL, PYRROLIDINYL OR CYCLOPENTYL)AMINOPURINE DERIVATIVES AS ANTICANCER AGENTS MERCK PATENT GMBH (DE) 2014-09-12 — — 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-20160002242-A1 IMIDAZOPYRIMIDINE DERIVATIVES EIF2AK4, GCN1, EIF4A2 JAK1 2527/4885JAK2 2732/4885KDM1A 2195/4885

“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.

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