SCHEMBL24688726

SCHEMBL24688726

Cc1nc2cccnn2c1-c1nccc(N2CCOCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ USP2 O75604 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ CLK4 Q9HAZ1 2/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PIK3CA P42336 4/20 0.47
▸ PIK3CD O00329 2/20 0.47
▸ MTOR P42345 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ OGA O60502 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL21210742 0.86 CYP1A2 (0.52) CYP1A2ALDH1A1HSD17B10USP2TSHR
SCHEMBL21209772 0.83 SMG1 (0.46) PIK3CAPIK3CDMTORAOC3
SCHEMBL21208598 0.82 PIK3CA (0.43) CYP1A2ALDH1A1HSD17B10USP2TSHR
SCHEMBL21208240 0.81 ALDH1A1 (0.53) CYP1A2ALDH1A1HSD17B10USP2TSHR
SCHEMBL21210940 0.80 HTT (0.47) CYP2C19PIK3CAMTORSMN1; SMN2HTT
SCHEMBL21210752 0.76 CYP1A2 (0.52) CYP1A2ALDH1A1HSD17B10USP2TSHR
SCHEMBL21209768 0.71 PDE4B (0.42) —
SCHEMBL21208596 0.70 PDE10A (0.45) KDM4EGAA
SCHEMBL13298979 0.69 PIK3CA (0.73) CYP1A2ALDH1A1HSD17B10USP2TSHR
SCHEMBL13033968 0.69 KMT2A (0.57) CYP1A2ALDH1A1HSD17B10USP2TSHR

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 1 patent. 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

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 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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