SCHEMBL24455258

SCHEMBL24455258

CCCc1nccc(C)c1N=C=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 2/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ PDE3B Q13370 2/20 0.38
▸ PDE3A Q14432 2/20 0.38
▸ NOS3 P29474 1/20 0.32
▸ CYP3A4 P08684 2/20 0.31
▸ TRPA1 O75762 1/20 0.31

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
SCHEMBL24455242 0.81 NOS2 (0.43) NOS2PDE3BPDE3ANOS3CYP3A4
SCHEMBL9019314 0.75 NOS2 (0.50) NOS2GABRA1PDE3BPDE3ANOS3
SCHEMBL8686292 0.73 GABRA1 (0.40) NOS2GABRA1GABRB2NOS3CYP3A4
SCHEMBL9847068 0.71 GABRA1 (0.47) GABRA1GABRB2CYP3A4TRPA1
SCHEMBL27069703 0.70 GABRA1 (0.34) GABRA1GABRB2CYP3A4TRPA1
SCHEMBL8156690 0.70 GABRA1 (0.59) GABRA1GABRB2CYP3A4TRPA1
SCHEMBL19006356 0.68 NOS2 (0.52) NOS2PDE3BPDE3ANOS3CYP3A4
SCHEMBL21567686 0.68 NOS2 (0.56) NOS2PDE3BPDE3ANOS3CYP3A4
SCHEMBL295649 0.68 CYP3A4 (0.50) GABRA1GABRB2CYP3A4TRPA1
SCHEMBL28258615 0.67 GABRA1 (0.41) NOS2GABRA1GABRB2CYP3A4TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025896-A1 PROCESS FOR PREPARING 7-CHLORO-6-FLUORO-1-(2-ISOPROPYL-4-METHYLPYRIDIN-3-YL)PYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE AMGEN INC. (US) 2024-01-25 — — US disclosed
WO-2022109242-A1 PROCESS FOR PREPARING 7-CHLORO-6-FLUORO-1-(2-ISOPROPYL-4-METHYLPYRIDIN-3- YL)PYRIDOF[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE AMGEN INC. (US) 2022-05-27 — — WO 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-20240025896-A1 PROCESS FOR PREPARING 7-CHLORO-6-FLUORO-1-(2-ISOPROPYL-4-METHYLPYRIDIN-3-YL)PYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE HINT1, DPYD, NME2 NOS2 3022/4885GABRA1 4437/4885GABRB2 4283/4885

“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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