SCHEMBL21208142

SCHEMBL21208142

Cc1nc2ccccn2c1-c1ccnc(N2CCCCC2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.62
CDK4 P11802 6/20 0.62
CCNE1 P24864 5/20 0.56
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 3/20 0.51
GLA P06280 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42

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
SCHEMBL21208144 0.88 CDK2 (0.59) CDK2CDK4CCNE1ALDH1A1KDM4E
SCHEMBL21208227 0.88 CDK2 (0.59) CDK2CDK4CCNE1ALDH1A1KDM4E
SCHEMBL413459 0.86 CDK2 (0.46) CDK2CDK4CCNE1ALDH1A1KDM4E
SCHEMBL413533 0.84 CDK2 (0.46) CDK2CDK4CCNE1ALDH1A1KDM4E
SCHEMBL412395 0.82 CDK2 (0.46) CDK2CDK4CCNE1ALDH1A1KDM4E
SCHEMBL21217027 0.80 CDK2 (0.51) CDK2CDK4CCNE1ALDH1A1KDM4E
SCHEMBL21208238 0.79 CDK2 (0.74) CDK2CDK4CCNE1ALDH1A1KDM4E
SCHEMBL21208224 0.78 CDK2 (0.49) CDK2CDK4CCNE1ALDH1A1KDM4E
SCHEMBL21208256 0.77 SMN1; SMN2 (0.53) CDK2CDK4CCNE1ALDH1A1KDM4E
SCHEMBL21208130 0.77 CDK2 (0.48) CDK2CDK4CCNE1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-02-11 US disclosed
US-10793563-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2020-10-06 US disclosed
WO-2019148136-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 WO disclosed
US-20190233411-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 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 (3 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-20190233411-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR CDK2 428/4885CDK4 1826/4885CCNE1 4484/4885
US-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR CDK2 428/4885CDK4 1826/4885CCNE1 4484/4885
US-10793563-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, GCGR CDK2 428/4885CDK4 1826/4885CCNE1 4484/4885

“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.