SCHEMBL24810222

SCHEMBL24810222

CC(C)N1Cc2c[nH]nc2C1=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 3/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ IDH1 O75874 1/20 0.30
▸ GRM5 P41594 1/20 0.30
▸ GRM1 Q13255 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
SCHEMBL23337433 0.77 BRD4 (0.34) —
SCHEMBL23336561 0.72 IDH1 (0.35) KCNH2IDH1GRM5
SCHEMBL12386590 0.70 AADAT (0.40) P2RX3KCNH2IDH1GRM5GRM1
SCHEMBL9252869 0.68 ADAM17 (0.45) P2RX3IDH1GRM5GRM1
SCHEMBL31060463 0.68 KCNH2 (0.34) P2RX3KCNH2IDH1GRM5GRM1
SCHEMBL3640565 0.68 KCNH2 (0.34) P2RX3KCNH2IDH1GRM5GRM1
SCHEMBL23471447 0.68 GRM5 (0.38) P2RX3KCNH2IDH1GRM5GRM1
SCHEMBL16478074 0.66 KCNH2 (0.38) P2RX3KCNH2IDH1GRM5GRM1
SCHEMBL4371798 0.66 KCNH2 (0.38) P2RX3KCNH2IDH1GRM5GRM1
SCHEMBL25913039 0.66 MAPK1 (0.38) P2RX3KCNH2IDH1

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-20220411429-A1 CONDENSED PYRIDAZINE OR PYRIMIDINE AS BTK INHIBITORS BIOGEN MA INC. 2022-12-29 — — 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-20220411429-A1 CONDENSED PYRIDAZINE OR PYRIMIDINE AS BTK INHIBITORS BTK, CDK2, SYK P2RX3 337/4885KCNH2 1206/4885IDH1 682/4885

“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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