SCHEMBL22049970

SCHEMBL22049970

CC(C)N1CC[C@H](CN)C[C@H]1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRMT3 O60678 1/20 0.44
▸ CARM1 Q86X55 1/20 0.44
▸ PRMT6 Q96LA8 1/20 0.44
▸ PRMT1 Q99873 1/20 0.44
▸ PRMT8 Q9NR22 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ CCR3 P51677 1/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL22049973 0.79 PRMT6 (0.46) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL29022158 0.78 PRMT3 (0.48) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL14640362 0.77 L3MBTL1 (0.46) KCNH2HRH3POLB
SCHEMBL14944939 0.77 KCNH2 (0.40) KCNH2HRH3CCR3
SCHEMBL2603270 0.76 SLC18A2 (0.50) —
SCHEMBL13995045 0.76 SLC18A2 (0.50) —
SCHEMBL5355075 0.75 TACR1 (0.46) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL2603288 0.75 SLC18A2 (0.49) —
SCHEMBL20841376 0.71 KCNH2 (0.47) KCNH2HRH3
SCHEMBL18870565 0.70 MC4R (0.44) POLB

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-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. 2020-06-04 — — 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-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS PTPRJ, PTPN2, PTPN5 PRMT3 828/4885CARM1 1328/4885PRMT6 787/4885

“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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