SCHEMBL25986173

SCHEMBL25986173

Cc1cccc(CNc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 4/20 0.61
▸ TP53 P04637 2/20 0.61
▸ ALOX15 P16050 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ S1PR4 O95977 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ ALPL P05186 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ S1PR1 P21453 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ AGTR1 P30556 1/20 0.61
▸ OPRK1 P41145 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ ADCY1 Q08828 12/20 0.60
▸ ADCY8 P40145 11/20 0.54
▸ HTR2B P41595 2/20 0.54
▸ LMNA P02545 1/20 0.53

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
SCHEMBL23188259 0.89 ADCY1 (0.75) ADCY1ADCY8HTR2B
SCHEMBL25986184 0.85 ADCY1 (0.52) SLC2A1TP53ALOX15SMN1; SMN2KDM4E
SCHEMBL25986311 0.85 SLC2A1 (0.62) SLC2A1TP53ALOX15SMN1; SMN2KDM4E
SCHEMBL25986162 0.84 SMN1; SMN2 (0.61) SLC2A1TP53ALOX15SMN1; SMN2KDM4E
SCHEMBL23160938 0.82 ADCY1 (0.54) SLC2A1TP53ALOX15SMN1; SMN2KDM4E
SCHEMBL25986255 0.80 ADCY1 (0.69) ADCY1ADCY8HTR2B
SCHEMBL25986208 0.80 ADCY1 (0.70) ADCY1ADCY8HTR2B
SCHEMBL25986207 0.80 ADCY1 (0.69) ADCY1ADCY8HTR2B
SCHEMBL25986210 0.80 ADCY1 (0.64) ADCY1ADCY8HTR2B
SCHEMBL23188246 0.80 ADCY1 (0.69) ADCY1ADCY8HTR2B

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-20230250084-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AND THE USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2023-08-10 — — US disclosed
US-20230250084-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AND THE USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2023-08-10 — — 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-20230250084-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AND THE USES THEREOF CAP1, ADCY1, ADCYAP1R1 SLC2A1 4314/4885TP53 4807/4885ALOX15 359/4885

“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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