SCHEMBL24391689

SCHEMBL24391689

COc1cc(F)cc2c(C(C)C)ncnc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 3/20 0.37
▸ PDE5A O76074 1/20 0.36
▸ PDE10A Q9Y233 4/20 0.36
▸ PDE2A O00408 3/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ RET P07949 2/20 0.35
▸ KIF5B P33176 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ TNF P01375 1/20 0.34
▸ LITAF Q99732 1/20 0.34
▸ EGFR P00533 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL24392237 0.82 PDE10A (0.41) PDE1BPDE5APDE10APDE2APDE4D
SCHEMBL24392596 0.78 PIK3CA (0.43) PDE5APDE10APDE2APDE4DRET
SCHEMBL12141928 0.77 PDE5A (0.62) PDE1BPDE5A
SCHEMBL24392592 0.77 ALDH1A1 (0.48) PDE1BPDE5APDE10APDE2ATNF
SCHEMBL22644982 0.75 PDE1B (0.48) PDE1BPDE5ATNFLITAFEGFR
SCHEMBL24392135 0.73 TRPA1 (0.48) PDE1BPDE10ARETKIF5BKDR
SCHEMBL11316949 0.71 PDE1B (0.58) PDE1BPDE10ARETKDREGFR
SCHEMBL12141932 0.71 PDE1B (0.61) PDE1BPDE5APDE10APDE2APDE4D
SCHEMBL24392126 0.71 PDE1B (0.48) PDE1BRETKIF5BKDREGFR
SCHEMBL21442344 0.70 PDGFRB (0.38) EGFRTRPA1KCNH2ALDH1A1

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 PDE1B 37/4885PDE5A 13/4885PDE10A 111/4885

“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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