SCHEMBL21210067

SCHEMBL21210067

CCO/C=C/c1cncc(Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.34
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HTR1A P08908 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL376290 1.00 CDK2 (0.34) CDK2KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL376291 1.00 CDK2 (0.34) CDK2KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL21193602 0.76 NFE2L2 (0.43) KDM4EMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL21193600 0.76 NFE2L2 (0.43) KDM4EMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL30803929 0.76 NFE2L2 (0.43) KDM4EMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL10238335 0.70 CDK2 (0.41) CDK2KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL21193080 0.69 KDM4E (0.30) KDM4EKMT2A
SCHEMBL21193082 0.69 KDM4E (0.30) KDM4EKMT2A
SCHEMBL844344 0.69 MAPT (0.30)
SCHEMBL844343 0.69 MAPT (0.30)

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-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-10-27 US disclosed
US-10988477-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2021-04-27 US disclosed
WO-2019148132-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 WO disclosed
US-20190233425-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-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR CDK2 428/4885KDM4E 3944/4885MEN1 3168/4885
US-10988477-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, EIF2AK1 CDK2 78/4885KDM4E 2118/4885MEN1 3537/4885
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR CDK2 428/4885KDM4E 3944/4885MEN1 3168/4885

“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.