SCHEMBL24688545

SCHEMBL24688545

Cc1nc2cnccn2c1-c1cc(N2CCOCC2)ncn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LRRK2 Q5S007 11/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP2C19 P33261 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL21208926 0.89 TSHR (0.43) LRRK2SMN1; SMN2JAK2JAK3NPC1
SCHEMBL21216920 0.83 PRKDC (0.52) KDM4EGAAMAPTLRRK2HTT
SCHEMBL21209380 0.82 KDM4E (0.47) KDM4EGAAMAPTRXFP1NPC1
SCHEMBL21209778 0.81 KDM4E (0.47) KDM4EGAAMAPTSMN1; SMN2RXFP1
SCHEMBL21210752 0.79 CYP1A2 (0.52) KDM4EGAAMAPTSMN1; SMN2CYP2C19
SCHEMBL21210940 0.76 HTT (0.47) LRRK2HTTSMN1; SMN2CYP2C19JAK2
SCHEMBL21208256 0.71 SMN1; SMN2 (0.53) KDM4EGAAMAPTHTTSMN1; SMN2
SCHEMBL21209364 0.70 DRD1 (0.41) KDM4EGAAMAPTLRRK2
SCHEMBL21209372 0.69 CSNK1E (0.49) —
SCHEMBL10272311 0.69 CYP2C19 (0.63) GAAMAPTLRRK2HTTSMN1; SMN2

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 KDM4E 3944/4885GAA 133/4885MAPT 3534/4885

“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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