SCHEMBL24830044

SCHEMBL24830044

c1ccc2nc(N3CCOCC3)cnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.71
▸ RAB9A P51151 6/20 0.71
▸ MAPT P10636 6/20 0.71
▸ ALDH1A1 P00352 5/20 0.71
▸ SMN1; SMN2 Q16637 4/20 0.71
▸ HTT P42858 3/20 0.71
▸ NFKB1 P19838 2/20 0.71
▸ NFKB2 Q00653 2/20 0.71
▸ RELA Q04206 2/20 0.71
▸ GAA P10253 2/20 0.71
▸ HPGD P15428 2/20 0.71
▸ HTR3A P46098 1/20 0.66
▸ HRH4 Q9H3N8 1/20 0.66
▸ NPSR1 Q6W5P4 3/20 0.63
▸ KDM4E B2RXH2 3/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ POLB P06746 2/20 0.61
▸ LMNA P02545 1/20 0.59
▸ ATM Q13315 1/20 0.51

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
SCHEMBL29832726 1.00 NPC1 (0.71) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL31184229 1.00 NPC1 (0.71) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL31326700 0.89 MAPT (0.57) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7689945 0.85 MAPT (0.53) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL31184151 0.84 NPC1 (0.72) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL29832295 0.84 NPC1 (0.72) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL1443423 0.82 HTT (0.57) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL1442062 0.82 HTT (0.57) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL3552442 0.82 NPC1 (0.70) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL1713999 0.82 NPC1 (0.70) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023083247-A1 INTERMEDIATE COMPOUND OF QUINOXALINE AND PREPARATION PROCESS THEREOF 4B TECHNOLOGIES (SUZHOU) LIMITED (CN) 2023-05-19 — — WO disclosed
WO-2023082145-A1 INTERMEDIATE COMPOUND OF QUINOXALINE AND PREPARATION PROCESS THEREOF 4B TECHNOLOGIES (SUZHOU) LIMITED (CN) 2023-05-19 — — WO disclosed
US-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-02-16 — — US disclosed
EP-4111863-A1 PHOSPHORUS USE EFFICIENCY ENHANCERS AS PLANT GROWTH PROMOTORS EuroChem Antwerpen (BE) 2023-01-04 — — 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 (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-20230049719-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS PTPN5, PTPRZ1, PTPN1 NPC1 3811/4885RAB9A 2158/4885MAPT 382/4885

“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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