SCHEMBL20457580

SCHEMBL20457580

Cc1ncc(C(C)C)c(C)c1N

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 1/20 0.37
P2RX3 P56373 4/20 0.32
P2RX2 Q9UBL9 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL23234642 0.84 KDM4E (0.34) KDM4EKMT2AP2RX3P2RX2SMN1; SMN2
SCHEMBL8986715 0.78
SCHEMBL20681196 0.76 KDM4E (0.32) KDM4EKMT2AP2RX3P2RX2
SCHEMBL3169248 0.73 UHRF1 (0.41) KDM4EKMT2A
SCHEMBL3840770 0.73 NOS3 (0.42) KDM4EKMT2ASMN1; SMN2
SCHEMBL20285958 0.73 LMNA (0.32)
SCHEMBL20242364 0.71 KDM4E (0.36) KDM4EKMT2A
SCHEMBL21542734 0.71 NOS3 (0.40) KDM4EKMT2AP2RX3P2RX2
SCHEMBL30154660 0.71 NOS3 (0.40) KDM4EKMT2AP2RX3P2RX2
SCHEMBL20673581 0.70 KDM5B (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3826721-B1 NAPHTHYRIDINE COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2023-10-11 EP disclosed
US-20210253580-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2021-08-19 US disclosed
WO-2020023551-A1 NAPHTHYRIDINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-01-30 WO disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 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 (2 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-20210253580-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF HIPK1, HPGDS, IP6K1 KDM4E 1953/4885KMT2A 1032/4885P2RX3 3833/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS KDM4E 2318/4885KMT2A 4093/4885P2RX3 3760/4885

“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.