SCHEMBL24392645

SCHEMBL24392645

CCc1c(C#N)cnc2c(OC)cccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.46
▸ HTR1A P08908 2/20 0.43
▸ ADRA1D P25100 2/20 0.43
▸ ADRA1A P35348 2/20 0.43
▸ ADRA1B P35368 2/20 0.43
▸ PDE10A Q9Y233 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ IMPDH2 P12268 1/20 0.42
▸ IMPDH1 P20839 1/20 0.42
▸ TNF P01375 2/20 0.40
▸ LITAF Q99732 2/20 0.40
▸ SRC P12931 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL24009148 0.81 HPGDS (0.55) HPGDSSLC6A3HTR1AADRA1DADRA1A
SCHEMBL6381401 0.80 HPGDS (0.54) HPGDSSLC6A3KDM4EHTR1AADRA1D
SCHEMBL24391743 0.78 HPGDS (0.51) HPGDSSLC6A3HTR1AADRA1DADRA1A
SCHEMBL24715854 0.75 HTR1A (0.55) HPGDSSLC6A3KDM4EHTR1AADRA1D
SCHEMBL24392117 0.74 SRC (0.56) SRC
SCHEMBL16884618 0.74 POLB (0.46) KDM4ETSHRNPSR1IMPDH2IMPDH1
SCHEMBL4572184 0.73 LRRK2 (0.54) KDM4EIMPDH2SRCMEN1KMT2A
SCHEMBL24393332 0.73 SLC6A3 (0.58) HPGDSSLC6A3KDM4ENPSR1MEN1
SCHEMBL24009068 0.72 EGFR (0.41) HPGDSSLC6A3
SCHEMBL24009065 0.72 ALDH1A1 (0.43) HPGDSSLC6A3KDM4ESRC

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 HPGDS 420/4885SLC6A3 2660/4885KDM4E 3129/4885

“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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