SCHEMBL4502225

SCHEMBL4502225

OCC(Cc1ccccc1Cl)Nc1ccc(-c2cc(Cl)c(O)c(Cl)c2)nn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.35
▸ P2RX7 Q99572 3/20 0.34
▸ IL1B P01584 3/20 0.33
▸ NLRP3 Q96P20 2/20 0.33
▸ TNF P01375 1/20 0.33
▸ MME P08473 3/20 0.33
▸ ACE P12821 2/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ IGF1R P08069 1/20 0.32
▸ DYRK3 O43781 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ DYRK2 Q92630 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ CXCR2 P25025 1/20 0.30
▸ CX3CR1 P49238 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
SCHEMBL4513405 0.91 ENPP2 (0.34) ENPP2IL1BNLRP3TNFCCNC
SCHEMBL4504457 0.87 ENPP2 (0.42) ENPP2IL1BNLRP3TNFCCNC
SCHEMBL4490949 0.84 NR1H2 (0.38) ENPP2
SCHEMBL4492347 0.81 ENPP2 (0.43) ENPP2IL1BNLRP3TNFMME
SCHEMBL4498654 0.77 ENPP2 (0.35) ENPP2DYRK3CCNT1CDK9CDK5
SCHEMBL4502158 0.77 ENPP2 (0.40) ENPP2MAPK1
SCHEMBL4504228 0.75 CRHR1 (0.37) ENPP2MAPK1
SCHEMBL4516940 0.74 LMNA (0.39) MAPK1ADRB2
SCHEMBL3242951 0.69 MAPT (0.50) IL1BNLRP3TNFMAPK1
SCHEMBL4493361 0.68 ACHE (0.44) IL1BNLRP3TNF

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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — 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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 ENPP2 778/4885P2RX7 449/4885IL1B 4049/4885

“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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