SCHEMBL21075865

SCHEMBL21075865

CC(C)c1c[nH]nc1C#N

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.39
KDM5A P29375 5/20 0.38
CYP2C8 P10632 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPT P10636 1/20 0.31
AGTR1 P30556 1/20 0.31

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
SCHEMBL27382558 0.80 KDM5A (0.31) ERBB2KDM5A
SCHEMBL31416789 0.79 ERBB2 (0.34) ERBB2
SCHEMBL12396304 0.79 THRA (0.32) THRATHRB
SCHEMBL21217115 0.71
SCHEMBL24380981 0.69
SCHEMBL10174668 0.69
SCHEMBL15554953 0.68
SCHEMBL24746897 0.67
SCHEMBL21208687 0.67
SCHEMBL25027411 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022253341-A1 2, 8-DIAZASPIRO [4.5] DECANE COMPOUNDS GENENTECH, INC. (US) 2022-12-08 WO disclosed
US-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-10-27 US disclosed
US-RE48635-E1 ERK inhibitors ELI LILLY AND COMPANY (US) 2021-07-13 US disclosed
US-10988477-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2021-04-27 US disclosed
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
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-20190233411-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
EP-3237423-B1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS LILLY CO ELI (US) 2019-06-05 EP 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 (6 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 ERBB2 3966/4885KDM5A 4321/4885CYP2C8 2664/4885
US-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR ERBB2 3966/4885KDM5A 4321/4885CYP2C8 2664/4885
US-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR ERBB2 3966/4885KDM5A 4321/4885CYP2C8 2664/4885
US-10988477-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, EIF2AK1 ERBB2 418/4885KDM5A 3193/4885CYP2C8 4477/4885
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR ERBB2 3966/4885KDM5A 4321/4885CYP2C8 2664/4885
US-10793563-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, GCGR ERBB2 3966/4885KDM5A 4321/4885CYP2C8 2664/4885

“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.