SCHEMBL16247259

SCHEMBL16247259

OCCn1ccnc1C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
BRD4 O60885 1/20 0.36
KCNH2 Q12809 11/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PLAT P00750 1/20 0.33
TNK2 Q07912 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
PLG P00747 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 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
SCHEMBL19772545 0.84 JAK2 (0.40) BRD4KCNH2MEN1KMT2ATNK2
SCHEMBL18805136 0.84 PLAT (0.41) CDK2BRD4KCNH2MEN1KMT2A
Hydrochloric Acid SCHEMBL18788541 0.83 PLAT (0.40) CDK2BRD4KCNH2MEN1KMT2A
SCHEMBL9894163 0.81 BRD4 (0.34) BRD4KCNH2MEN1KMT2APLAT
Hydrochloric Acid SCHEMBL16457105 0.80 MEN1 (0.35) BRD4KCNH2MEN1KMT2APLAT
SCHEMBL15942427 0.75 MEN1 (0.42) BRD4MEN1KMT2ATNK2PLG
SCHEMBL18805137 0.74 CALCA (0.37) BRD4KCNH2KMT2APLAT
Hydrochloric Acid SCHEMBL16992353 0.73 MEN1 (0.45) BRD4MEN1KMT2ATNK2PLG
Hydrochloric Acid SCHEMBL3259989 0.73 MEN1 (0.45) BRD4MEN1KMT2ATNK2PLG
Hydrochloric Acid SCHEMBL20522326 0.73 CALCA (0.37) BRD4KCNH2MEN1KMT2APLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2016-01-07 US disclosed
US-9145392-B2 Imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-11-20 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-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 CCNE1 530/4885CDK2 89/4885BRD4 320/4885
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 CCNE1 530/4885CDK2 89/4885BRD4 320/4885

“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.