SCHEMBL21209772

SCHEMBL21209772

Cc1nc2cccnn2c1-c1ccnc(N2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMG1 Q96Q15 5/20 0.46
▸ CDK1 P06493 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ LRRK2 Q5S007 7/20 0.45
▸ PIK3CD O00329 1/20 0.45
▸ RAF1 P04049 1/20 0.43
▸ BRAF P15056 1/20 0.43
▸ PIK3CA P42336 3/20 0.42
▸ MTOR P42345 2/20 0.42
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ PDE2A O00408 1/20 0.41
▸ PDE8A O60658 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ PDE9A O76083 1/20 0.41
▸ PDE6A P16499 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ PDE1B Q01064 1/20 0.41

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
SCHEMBL21209768 0.88 PDE4B (0.42) PDE4DPDE10A
SCHEMBL24688736 0.86 CSNK1E (0.56) —
SCHEMBL21210940 0.83 HTT (0.47) LRRK2PIK3CAMTOR
SCHEMBL24688726 0.83 CYP1A2 (0.53) PIK3CDPIK3CAMTORAOC3
SCHEMBL1826636 0.82 PDE10A (0.60) SMG1CDK1CDK2LRRK2PIK3CD
SCHEMBL21217063 0.82 PRKDC (0.52) SMG1CDK1CDK2LRRK2PIK3CD
SCHEMBL21208598 0.81 PIK3CA (0.43) LRRK2PIK3CAMTORADORA2AADORA1
SCHEMBL1826477 0.79 PDE10A (0.57) SMG1CDK1CDK2LRRK2PIK3CD
SCHEMBL1826520 0.77 PDE10A (0.55) PIK3CDPDE2APDE8APDE5APDE9A
SCHEMBL21209380 0.76 KDM4E (0.47) SMG1CDK1CDK2PIK3CDRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-10-27 — — US disclosed
WO-2019148132-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 — — 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-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR SMG1 240/4885CDK1 2005/4885CDK2 428/4885

“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