SCHEMBL21209778

SCHEMBL21209778

Cc1nc2cnccn2c1-c1cccc(N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.47
▸ GAA P10253 5/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ MAPT P10636 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ PIM1 P11309 3/20 0.42
▸ TP53 P04637 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38

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
SCHEMBL21209777 0.86 CSNK1E (0.47) PIM1PIM3PIM2ALDH1A1
SCHEMBL21208155 0.85 PRKDC (0.52) KDM4EGAARXFP1MAPTPIM1
SCHEMBL21210752 0.82 CYP1A2 (0.52) KDM4EGAARXFP1MAPTNPC1
SCHEMBL24688545 0.81 KDM4E (0.42) KDM4EGAARXFP1MAPTNPC1
SCHEMBL21209380 0.81 KDM4E (0.47) KDM4EGAARXFP1MAPTNPC1
SCHEMBL21209650 0.79 CYP2A6 (0.47) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL21208598 0.77 PIK3CA (0.43) KDM4EGAANPC1RAB9APIM1
SCHEMBL21217027 0.72 CDK2 (0.51) KDM4EGAAMAPTPIM1PIM3
SCHEMBL21217032 0.71 IRAK4 (0.57) KDM4EGAAMAPTPIM1PIM3
SCHEMBL21208646 0.70 ALDH1A1 (0.42) KDM4EALDH1A1HPGD

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 KDM4E 3944/4885GAA 133/4885RXFP1 4558/4885

“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