SCHEMBL23160969

SCHEMBL23160969

CCc1cc(=O)nc(-n2nc(C)cc2NC(=O)Cc2ccccc2C)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 14/20 0.61
▸ ADCY8 P40145 11/20 0.61
▸ SLC2A1 P11166 2/20 0.49
▸ HTR2B P41595 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.47
▸ MAPT P10636 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL23160948 0.85 ADCY1 (0.74) ADCY1ADCY8HTR2BHTTKDM4E
SCHEMBL23160963 0.85 ADCY1 (0.74) ADCY1ADCY8HTR2BHTTKDM4E
SCHEMBL25349065 0.84 ADCY1 (0.74) ADCY1ADCY8SLC2A1HTR2B
SCHEMBL23160941 0.82 ADCY1 (0.71) ADCY1ADCY8HTR2BKDM4E
SCHEMBL23160940 0.81 ADCY8 (0.68) ADCY1ADCY8HTR2B
SCHEMBL23160936 0.80 ADCY1 (0.73) ADCY1ADCY8HTR2B
SCHEMBL20657964 0.80 ADCY1 (0.75) ADCY1ADCY8HTR2BTDP1MAPT
SCHEMBL23160928 0.79 ADCY1 (0.56) ADCY1ADCY8SLC2A1HTR2BTDP1
SCHEMBL23160930 0.78 ADCY1 (0.71) ADCY1ADCY8HTR2BKDM4E
SCHEMBL23160934 0.78 ADCY1 (0.73) ADCY1ADCY8HTR2BKDM4E

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-11690844-B2 Pyrazolyl pyrimidinone compounds and the uses thereof PURDUE RESEARCH FOUNDATION (US) 2023-07-04 — — US disclosed
US-20210100797-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AND THE USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2021-04-08 — — 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-11690844-B2 Pyrazolyl pyrimidinone compounds and the uses thereof CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 9/4885SLC2A1 4314/4885
US-20210100797-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AND THE USES THEREOF CAP1, ADCY1, ADCYAP1R1 ADCY1 2/4885ADCY8 9/4885SLC2A1 4314/4885

“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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