SCHEMBL24181741

SCHEMBL24181741

Clc1cnc(Sc2cccc(-c3cnn4cccnc34)c2Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BMP4 P12644 1/20 0.43
▸ SMPD3 Q9NY59 3/20 0.40
▸ CTSD P07339 1/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ PIK3C3 Q8NEB9 1/20 0.38
▸ AXL P30530 1/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ KDR P35968 1/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PTPN11 Q06124 2/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33

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
SCHEMBL24181740 0.82 BMP4 (0.47) BMP4SMPD3CTSDJAK1PIK3C3
SCHEMBL24181756 0.80 PTPN11 (0.48) PTPN11
SCHEMBL24181977 0.79 BMP4 (0.44) BMP4SMPD3CTSDJAK1PIK3C3
SCHEMBL24181952 0.76 BMP4 (0.51) BMP4SMPD3CTSDJAK1PIK3C3
SCHEMBL27182421 0.73 NPC1 (0.38) NPC1PTPN11
SCHEMBL30899412 0.73 NPC1 (0.38) NPC1PTPN11
SCHEMBL24181524 0.72 ALOX5AP (0.37) PTPN11
SCHEMBL30835350 0.71 PTPN11 (0.47) PTPN11
SCHEMBL27082924 0.71 PTPN11 (0.47) PTPN11
SCHEMBL24181809 0.70 PTPN11 (0.40) PTPN11

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 BMP4 1550/4885SMPD3 1838/4885CTSD 4337/4885
US-20220127276-A1 PYRAZINE DERIVATIVE AND APPLICATION THEREOF IN INHIBITING SHP2 PTPN5, PTPN1, PTPN7 BMP4 1550/4885SMPD3 1838/4885CTSD 4337/4885
US-20230227464-A1 PYRAZINE DERIVATIVE AND APPLICATION THEREOF IN INHIBITING SHP2 PTPN5, PTPN1, PTPN7 BMP4 1550/4885SMPD3 1838/4885CTSD 4337/4885

“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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