SCHEMBL24392467

SCHEMBL24392467

Cn1cnc2c(F)c3nc[nH]c(=O)c3cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.44
IP6K1 Q92551 5/20 0.43
BCL2 P10415 1/20 0.41
MCL1 Q07820 1/20 0.41
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
CYP1A2 P05177 1/20 0.35
TMIGD3 P0DMS9 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADORA1 P30542 1/20 0.35
IP6K3 Q96PC2 1/20 0.35
IP6K2 Q9UHH9 1/20 0.35
PIM1 P11309 2/20 0.35
RPS6KA3 P51812 2/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL29589444 1.00 PARP1 (0.44) PARP1IP6K1BCL2MCL1BRD4
SCHEMBL24393201 0.72 LMNA (0.35) ADORA1
SCHEMBL13948938 0.72 PARP1 (0.47) PARP1IP6K1ALDH1A1IP6K3PIM1
SCHEMBL24392470 0.71 ALDH1A1 (0.36) ALDH1A1ADORA1MAP2K2MAP2K1
SCHEMBL24392652 0.70 ADORA2A (0.32) ADORA1
SCHEMBL20224934 0.69 GDA (0.38) BRD4ALDH1A1
SCHEMBL31559173 0.69 PARP1 (0.47) PARP1IP6K1BCL2MCL1IP6K3
SCHEMBL21415486 0.69 PARP1 (0.51) PARP1IP6K1BCL2MCL1ALDH1A1
SCHEMBL29810919 0.69 PARP1 (0.47) PARP1IP6K1BCL2MCL1ALDH1A1
SCHEMBL16637093 0.69 PARP1 (0.47) PARP1IP6K1BCL2MCL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022091048-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 WO disclosed
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 PARP1 982/4885IP6K1 76/4885BCL2 4046/4885

“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.