SCHEMBL4498654

SCHEMBL4498654

CCC(Cc1ccccc1)Nc1ccc(-c2cc(Cl)c(O)c(Cl)c2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.35
▸ ACHE P22303 4/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ DYRK3 O43781 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ DYRK2 Q92630 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ AKR1C2 P52895 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 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
SCHEMBL4504457 0.90 ENPP2 (0.42) ENPP2ACHEMAPK1
SCHEMBL4504228 0.88 CRHR1 (0.37) ENPP2ACHEMAPK1NPC1USP2
SCHEMBL4516940 0.86 LMNA (0.39) MAPK1AKR1C2AKR1C1NPC1RAB9A
SCHEMBL4492347 0.79 ENPP2 (0.43) ENPP2NPC1RAB9A
SCHEMBL4502225 0.77 ENPP2 (0.35) ENPP2MAPK1PIK3CAMAPK8MAPK9
SCHEMBL3242951 0.77 MAPT (0.50) ACHEMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL4493361 0.75 ACHE (0.44) ACHENPC1USP2TP53RAB9A
SCHEMBL4502158 0.75 ENPP2 (0.40) ENPP2MAPK1NPC1USP2RAB9A
SCHEMBL4513405 0.73 ENPP2 (0.34) ENPP2DYRK3CCNT1CDK9CDK5
SCHEMBL4508586 0.73 PSEN1 (0.42) CCNT1CDK9NPC1RAB9A

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 778/4885ACHE 4393/4885MAPK1 4285/4885

“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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