SCHEMBL24181554

SCHEMBL24181554

C[C@@H]1OCC2(CCN(c3cnc(Sc4cccc(-c5cnc6ccnn6c5)c4Cl)cn3)CC2)[C@@H]1N

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 20/20 0.59
▸ MAPK3 P27361 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CDK4 P11802 1/20 0.49
▸ CCND3 P30281 1/20 0.49
▸ KCNH2 Q12809 2/20 0.48

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
SCHEMBL24181616 0.87 PTPN11 (0.57) PTPN11MAPK3MAPK1CDK4CCND3
SCHEMBL24181665 0.86 PTPN11 (0.59) PTPN11MAPK3MAPK1CDK4CCND3
SCHEMBL24181829 0.86 PTPN11 (0.59) PTPN11MAPK3MAPK1CDK4CCND3
SCHEMBL24181560 0.86 PTPN11 (0.59) PTPN11MAPK3MAPK1CDK4CCND3
SCHEMBL24378943 0.86 PTPN11 (0.68) PTPN11MAPK3MAPK1KCNH2
SCHEMBL24379029 0.85 PTPN11 (0.45) PTPN11KCNH2
SCHEMBL24181747 0.84 PTPN11 (0.63) PTPN11MAPK3MAPK1CDK4CCND3
SCHEMBL24181705 0.83 PTPN11 (0.62) PTPN11MAPK3MAPK1CDK4CCND3
SCHEMBL24181645 0.83 PTPN11 (0.62) PTPN11MAPK3MAPK1CDK4CCND3
SCHEMBL24181981 0.82 PTPN11 (0.48) PTPN11KCNH2

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
US-11827644-B2 Pyrazine derivative and application thereof in inhibiting SHP2 SUZHOU GENHOUSE PHARMACEUTICAL CO., LTD (CN) 2023-11-28 — — US disclosed
US-11827644-B2 Pyrazine derivative and application thereof in inhibiting SHP2 SUZHOU GENHOUSE PHARMACEUTICAL CO., LTD (CN) 2023-11-28 — — US disclosed
US-20230227464-A1 PYRAZINE DERIVATIVE AND APPLICATION THEREOF IN INHIBITING SHP2 SUZHOU GENHOUSE PHARMACEUTICAL CO., LTD (CN) 2023-07-20 — — US disclosed
US-20230227464-A1 PYRAZINE DERIVATIVE AND APPLICATION THEREOF IN INHIBITING SHP2 SUZHOU GENHOUSE PHARMACEUTICAL CO., LTD (CN) 2023-07-20 — — US disclosed
US-20220127276-A1 PYRAZINE DERIVATIVE AND APPLICATION THEREOF IN INHIBITING SHP2 SUZHOU GENHOUSE PHARMACEUTICAL CO., LTD (CN) 2022-04-28 — — US disclosed
EP-3936502-A1 PYRAZINE DERIVATIVE AND APPLICATION THEREOF IN INHIBITING SHP2 Suzhou Genhouse Pharmaceutical Co., Ltd. (CN) 2022-01-12 — — EP 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-11827644-B2 Pyrazine derivative and application thereof in inhibiting SHP2 PTPN5, PTPN1, PTPN7 PTPN11 7/4885MAPK3 209/4885MAPK1 140/4885
US-20220127276-A1 PYRAZINE DERIVATIVE AND APPLICATION THEREOF IN INHIBITING SHP2 PTPN5, PTPN1, PTPN7 PTPN11 7/4885MAPK3 209/4885MAPK1 140/4885
US-20230227464-A1 PYRAZINE DERIVATIVE AND APPLICATION THEREOF IN INHIBITING SHP2 PTPN5, PTPN1, PTPN7 PTPN11 7/4885MAPK3 209/4885MAPK1 140/4885

“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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