SCHEMBL20571599

SCHEMBL20571599

COCCNc1cc(C#N)ccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.63
▸ MAPT P10636 9/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ KAT2B Q92831 2/20 0.52
▸ HCAR3 P49019 1/20 0.52
▸ RAB9A P51151 2/20 0.48
▸ PTGER4 P35408 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ ALPG P10696 1/20 0.46
▸ HTR6 P50406 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ VCAM1 P19320 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL29737974 1.00 LMNA (0.63) LMNAMAPTALDH1A1KAT2BHCAR3
SCHEMBL740421 0.92 KAT2B (0.56) LMNAMAPTALDH1A1KAT2BHCAR3
SCHEMBL26913572 0.90 KAT2B (0.65) LMNAMAPTALDH1A1KAT2BHCAR3
SCHEMBL762635 0.83 KAT2B (0.60) LMNAMAPTALDH1A1KAT2BHCAR3
SCHEMBL20420265 0.83 KAT2B (0.57) LMNAMAPTALDH1A1KAT2BRAB9A
SCHEMBL7371227 0.82 RAB9A (0.61) LMNAMAPTALDH1A1KAT2BRAB9A
SCHEMBL6182039 0.82 MAPT (0.53) LMNAMAPTALDH1A1KAT2BHCAR3
SCHEMBL29525978 0.82 MAPT (0.53) LMNAMAPTALDH1A1KAT2BHCAR3
SCHEMBL4245982 0.82 KAT2B (0.52) LMNAMAPTALDH1A1KAT2BRAB9A
SCHEMBL19553526 0.82 KAT2B (0.52) LMNAMAPTALDH1A1KAT2BRAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630770-B1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS INC (US) 2024-08-28 — — EP disclosed
US-11702404-B2 GLP-1R modulating compounds GILEAD SCIENCES, INC. (US) 2023-07-18 — — US disclosed
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors D. E. SHAW RESEARCH, LLC (US) 2023-02-28 — — US disclosed
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. 2020-06-04 — — US disclosed
EP-3630770-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS Relay Therapeutics, Inc. (US) 2020-04-08 — — EP disclosed
WO-2018218133-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS, INC. (US) 2018-11-29 — — 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 (3 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-11702404-B2 GLP-1R modulating compounds GLP1R, GIPR, GPR119 LMNA 3309/4885MAPT 3314/4885ALDH1A1 3556/4885
US-20200172546-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS PTPRJ, PTPN2, PTPN5 LMNA 4743/4885MAPT 4149/4885ALDH1A1 2732/4885
US-11591336-B2 Substituted pyrazolo[3,4-b]pyrazines as SHP2 phosphatase inhibitors PTPN5, PTPN2, PTPN1 LMNA 4835/4885MAPT 4183/4885ALDH1A1 2356/4885

“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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