SCHEMBL24392136

SCHEMBL24392136

COc1cc2c(C(C)C)ncnn2c1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 1/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE1B Q01064 2/20 0.33
▸ CYP17A1 P05093 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ ACVR2A P27037 1/20 0.30
▸ TGFBR2 P37173 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ FGFR1 P11362 1/20 0.30
▸ FGFR3 P22607 1/20 0.30

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
SCHEMBL24393066 0.80 EGLN2 (0.39) EGLN2MEN1NPC1KMT2ASMN1; SMN2
SCHEMBL24391777 0.79 EGLN2 (0.34) EGLN2MEN1NPC1KMT2A
SCHEMBL24392134 0.76 EGLN2 (0.36) EGLN2MEN1NPC1KMT2APDE1B
SCHEMBL17250006 0.69 CHRNA7 (0.33) PDE4B
SCHEMBL24392173 0.65 ALDH1A1 (0.31) PDE1B
SCHEMBL12395129 0.64 EGFR (0.41) EGLN2
SCHEMBL26006998 0.64 ALDH1A1 (0.31) —
SCHEMBL24391697 0.64 ALDH1A1 (0.33) —
SCHEMBL24391762 0.64 PDE4B (0.30) PDE4B
SCHEMBL24391770 0.64 RET (0.31) —

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-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 — — 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-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, ENPP2 EGLN2 2652/4885MEN1 2462/4885NPC1 1617/4885

“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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