SCHEMBL21210752

SCHEMBL21210752

Cc1nc2cnccn2c1-c1nccc(N2CCOCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ CLK4 Q9HAZ1 2/20 0.52
▸ USP2 O75604 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ PIK3CD O00329 2/20 0.44
▸ PIK3CA P42336 2/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ GAA P10253 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ CASP1 P29466 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
SCHEMBL21208646 0.88 ALDH1A1 (0.42) CYP1A2ALDH1A1HSD17B10TSHRCLK4
SCHEMBL21211450 0.86 CYP1A2 (0.51) CYP1A2ALDH1A1HSD17B10TSHRCLK4
SCHEMBL21208240 0.85 ALDH1A1 (0.53) CYP1A2ALDH1A1HSD17B10TSHRCLK4
SCHEMBL21209380 0.83 KDM4E (0.47) PIK3CDKDM4EGAAMAPTRXFP1
SCHEMBL21209778 0.82 KDM4E (0.47) ALDH1A1PIK3CAKDM4EGAAMAPT
SCHEMBL24688545 0.79 KDM4E (0.42) CYP2C19KDM4EGAAMAPTRXFP1
SCHEMBL24688726 0.76 CYP1A2 (0.53) CYP1A2ALDH1A1HSD17B10TSHRCLK4
SCHEMBL21208224 0.73 CDK2 (0.49) ALDH1A1HSD17B10TSHRUSP2KDM4E
SCHEMBL21209364 0.71 DRD1 (0.41) KDM4EGAAMAPTTP53DRD1
SCHEMBL21209372 0.70 CSNK1E (0.49) —

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 3 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
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 CYP1A2 3059/4885ALDH1A1 4414/4885HSD17B10 212/4885
US-10988477-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, EIF2AK1 CYP1A2 4557/4885ALDH1A1 4754/4885HSD17B10 2365/4885
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR CYP1A2 3059/4885ALDH1A1 4414/4885HSD17B10 212/4885

“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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