SCHEMBL23336558

SCHEMBL23336558

CC(C)N1CCc2[nH]ncc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 11/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ HTR1A P08908 3/20 0.37
▸ DRD2 P14416 3/20 0.37
▸ HTR2A P28223 3/20 0.37
▸ CCNA2 P20248 3/20 0.36
▸ CDK2 P24941 3/20 0.36
▸ CCNA1 P78396 3/20 0.36
▸ NOTUM Q6P988 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33

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
SCHEMBL23337430 0.78 ALDH1A1 (0.43) GRM5ALDH1A1HTR1ADRD2HTR2A
SCHEMBL29918309 0.71 CCNA2 (0.39) ALDH1A1HTR1ADRD2HTR2ACCNA2
SCHEMBL22216418 0.71 ALDH1A1 (0.46) GRM5ALDH1A1HTR1ADRD2HTR2A
SCHEMBL29918363 0.69 HTR1A (0.53) ALDH1A1HTR1ADRD2HTR2ACCNA2
SCHEMBL22216186 0.68 GRM5 (0.47) GRM5CCNA2CDK2NOTUMACVRL1
SCHEMBL22048360 0.68 PLK1 (0.50) GRM5HTR1ADRD2HTR2A
SCHEMBL25913022 0.68 GRM5 (0.40) GRM5NOTUMACVRL1ACVR1
SCHEMBL23336559 0.68 HTR1A (0.35) GRM5HTR1ADRD2HTR2ANOTUM
SCHEMBL22057225 0.67 JAK2 (0.43) ALDH1A1NOTUM
SCHEMBL22048359 0.66 GRM5 (0.50) GRM5HTR1ADRD2HTR2AACVRL1

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-20220411429-A1 CONDENSED PYRIDAZINE OR PYRIMIDINE AS BTK INHIBITORS BIOGEN MA INC. 2022-12-29 — — US disclosed
WO-2021133894-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2021-07-01 — — WO disclosed
WO-2021087086-A1 CONDENSED PYRIDAZINE OR PYRIMIDINE AS BTK INHIBITORS BIOGEN MA INC. (US) 2021-05-06 — — 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-20220411429-A1 CONDENSED PYRIDAZINE OR PYRIMIDINE AS BTK INHIBITORS BTK, CDK2, SYK GRM5 3081/4885ALDH1A1 2770/4885HTR1A 1677/4885

“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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