SCHEMBL31245696

SCHEMBL31245696

[2H]C([2H])([2H])N(Cc1ccc(OC)cc1)c1cc(Cl)nc2c(C(=O)OCC)cnn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ MAPT P10636 2/20 0.38

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
SCHEMBL21811192 0.94 KDM4E (0.44) KDM4EHSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL20688889 0.83 KDM4E (0.53) KDM4EHSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL26098304 0.83 PTPN1 (0.49) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL23327622 0.79 MAPT (0.39) HPGDNPC1ALDH1A1POLBMAPT
SCHEMBL30349310 0.79 CCNA2 (0.54) KDM4EHSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL20678782 0.78 KDM4E (0.54) KDM4EHSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL21887375 0.78 KDM4E (0.42) KDM4EHSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL25070256 0.77 KDM4E (0.51) KDM4EHSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL22092637 0.76 KDM4E (0.41) KDM4EHSD17B10HPGDSMN1; SMN2NPC1
SCHEMBL21887777 0.76 MAPT (0.44) KDM4EHSD17B10HPGDSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240335443-A1 IMIDAZOLOPYRIDAZINE OR PYRAZOLOPYRIMIDINE COMPOUNDS AND COMPOSITIONS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2024-10-10 — — US 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-20240335443-A1 IMIDAZOLOPYRIDAZINE OR PYRAZOLOPYRIMIDINE COMPOUNDS AND COMPOSITIONS TYK2, PTK2B, JAK1 KDM4E 901/4885HSD17B10 4388/4885HPGD 2632/4885

“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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