SCHEMBL24181588

SCHEMBL24181588

CC(C)(C)Sc1cccc(N2CCCC2=O)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ GAA P10253 2/20 0.35

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
SCHEMBL29604196 1.00 SMN1; SMN2 (0.38) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24389162 0.85 NPC1 (0.46) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24181586 0.84 — —
SCHEMBL29603878 0.77 DRD2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24181951 0.77 DRD2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24388818 0.77 HSD17B10 (0.50) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1771750 0.75 POLB (0.44) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24181939 0.74 CNR2 (0.42) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1770648 0.73 F2 (0.42) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25098551 0.73 HSD17B10 (0.43) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9

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 8 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
CN-114478585-A Nitrogen-containing fused heterocyclic compound and preparation method and application thereof 上海青煜医药科技有限公司 2022-05-13 — — CN disclosed
WO-2022089406-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海青煜医药科技有限公司 2022-05-05 — — WO 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 SMN1; SMN2 3529/4885CYP1A2 1334/4885CYP3A4 2029/4885
US-20220127276-A1 PYRAZINE DERIVATIVE AND APPLICATION THEREOF IN INHIBITING SHP2 PTPN5, PTPN1, PTPN7 SMN1; SMN2 3529/4885CYP1A2 1334/4885CYP3A4 2029/4885
US-20230227464-A1 PYRAZINE DERIVATIVE AND APPLICATION THEREOF IN INHIBITING SHP2 PTPN5, PTPN1, PTPN7 SMN1; SMN2 3529/4885CYP1A2 1334/4885CYP3A4 2029/4885

“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.

Send feedback