SCHEMBL21208598

SCHEMBL21208598

Cc1nc2cccnn2c1-c1cccc(N2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ PIM1 P11309 4/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PIM3 Q86V86 2/20 0.39
▸ PIM2 Q9P1W9 2/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL21208596 0.88 PDE10A (0.45) PIM1ADORA2AADORA1GAAKDM4E
SCHEMBL21210798 0.86 CSNK1E (0.52) PIM1ALDH1A1KDM4EPIM3PIM2
SCHEMBL21210940 0.83 HTT (0.47) PIK3CAMTORSMN1; SMN2CYP2C19LRRK2
SCHEMBL24688726 0.82 CYP1A2 (0.53) PIK3CAMTORALDH1A1SMN1; SMN2GAA
SCHEMBL21209772 0.81 SMG1 (0.46) PIK3CAMTORADORA2AADORA1LRRK2
SCHEMBL21208155 0.80 PRKDC (0.52) PIM1ALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL21209778 0.77 KDM4E (0.47) PIK3CAPIM1ADORA2AADORA1ALDH1A1
SCHEMBL1515189 0.71 HTR3E (0.66) ALDH1A1SMN1; SMN2GAAKDM4EHPGD
SCHEMBL21209764 0.71 NPC1 (0.49) SMN1; SMN2GAAKDM4EKMT2ACYP1A2
Ammonia Solution, Strong SCHEMBL28507641 0.70 HTR3E (0.64) ALDH1A1SMN1; SMN2GAAKDM4EHPGD

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 PIK3CA 1031/4885MTOR 745/4885PIM1 3415/4885

“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.

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