SCHEMBL24391780

SCHEMBL24391780

Cc1cc(F)n2ncnc(C(C)C)c12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ EGLN2 Q96KS0 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL24391697 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL24391766 0.83 ALDH1A1 (0.41) ALDH1A1
SCHEMBL24393049 0.79 ALDH1A1 (0.35) ALDH1A1EGLN2ALOX15TSHRMAPK1
SCHEMBL24391796 0.76 EGLN2 (0.35) ALDH1A1EGLN2MAPK1
SCHEMBL24392619 0.76 EGLN2 (0.35) ALDH1A1EGLN2ALOX15TSHRMAPK1
SCHEMBL24392620 0.76 ALDH1A1 (0.33) ALDH1A1EGLN2ALOX15TSHRMAPK1
SCHEMBL24391770 0.70 RET (0.31) ALDH1A1
SCHEMBL26024313 0.69 CHRNA7 (0.32) —
SCHEMBL24391801 0.69 PIK3CD (0.33) ALDH1A1
SCHEMBL24392173 0.68 ALDH1A1 (0.31) ALDH1A1

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 ACVRL1 1882/4885ALDH1A1 754/4885EGLN2 2652/4885

“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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