SCHEMBL12338167

SCHEMBL12338167

CCc1cnc(N)nc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 4/20 0.45
▸ P2RX3 P56373 2/20 0.43
▸ P2RX2 Q9UBL9 2/20 0.43
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40

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
SCHEMBL17721727 0.78 TKT (0.34) NOS3NOS1NOS2
SCHEMBL13693762 0.78 LMNA (0.38) NOS3NOS1NOS2
SCHEMBL18799338 0.76 DHFR (0.38) DHFRP2RX3P2RX2
SCHEMBL12316236 0.75 P2RX3 (0.47) DHFRP2RX3P2RX2
SCHEMBL29941363 0.75 DHFR (0.64) DHFR
SCHEMBL1317193 0.75 DHFR (0.64) DHFR
SCHEMBL27051314 0.74 GABRP (0.41) DHFRNOS3NOS1NOS2
SCHEMBL8201952 0.74 NUDT1 (0.42) DHFRP2RX3P2RX2NOS3NOS1
SCHEMBL25147465 0.74 DHFR (0.49) DHFRP2RX3P2RX2NOS3NOS1
SCHEMBL28150953 0.74 DHFR (0.49) DHFRP2RX3P2RX2NOS3NOS1

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-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. 2023-04-20 — — US disclosed
US-8263648-B2 Diebenzofuran derivatives as inhibitors of PDE-4 and PDE-10 Mylan Laboratories Ltd. (IN) 2012-09-11 — — US disclosed
US-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LABORATORIES LIMITED (IN) 2009-11-12 — — 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-20230117631-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 DHFR 3752/4885P2RX3 2136/4885P2RX2 2257/4885
US-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 PDE4A, PDE4B, PDE12 DHFR 201/4885P2RX3 992/4885P2RX2 1041/4885

“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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