SCHEMBL1202379

SCHEMBL1202379

COc1ccc(CN(C)c2ccc3ncc(C(=O)O)n3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.47
▸ NTRK3 Q16288 1/20 0.47
▸ NTRK2 Q16620 1/20 0.47
▸ PTPN1 P18031 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ACHE P22303 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ CLK1 P49759 2/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ NPC1 O15118 2/20 0.37

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
SCHEMBL1203027 0.86 NTRK1 (0.48) NTRK1NTRK3NTRK2HTTKDM4E
SCHEMBL1203558 0.84 KDM4E (0.47) NTRK1NTRK3NTRK2KDM4EMAPT
SCHEMBL1202900 0.80 PPARD (0.46) NTRK1NTRK3NTRK2KDM4ELMNA
SCHEMBL1203885 0.77 MEN1 (0.39) NTRK1NTRK3NTRK2LMNAMAPT
SCHEMBL16794676 0.77 PDE1B (0.40) PTPN1HTTACHESMN1; SMN2ALDH1A1
SCHEMBL1203600 0.76 FYN (0.59) NTRK1KDM4ECLK1FYNNPC1
SCHEMBL1203271 0.76 KMT2A (0.48) HTTLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL1203883 0.75 MAPT (0.41) LMNAMAPTSMN1; SMN2MAPK1ADORA2A
SCHEMBL30612393 0.75 PTPN1 (0.43) PTPN1HTTKDM4EACHESMN1; SMN2
SCHEMBL19613847 0.74 NTRK1 (0.39) NTRK1NTRK3NTRK2HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-02-24 — — US disclosed
EP-2217601-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2010-08-18 — — EP disclosed
WO-2009060197-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2009-05-14 — — WO 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-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors PIM1, PIM3, PIM2 NTRK1 755/4885NTRK3 756/4885NTRK2 2000/4885

“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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