SCHEMBL1203079

SCHEMBL1203079

CN(Cc1ccc(Cl)c(Cl)c1)c1ccc2ncc(C(=O)Nc3ccccc3)n2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.44
▸ NTRK1 P04629 1/20 0.43
▸ NTRK3 Q16288 1/20 0.43
▸ NTRK2 Q16620 1/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ DHODH Q02127 2/20 0.40
▸ KIT P10721 2/20 0.40
▸ DDR2 Q16832 2/20 0.40
▸ DDR1 Q08345 1/20 0.40
▸ IKBKB O14920 4/20 0.40
▸ FYN P06241 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CXCR1 P25024 1/20 0.38
▸ CXCR2 P25025 1/20 0.38
▸ KMO O15229 1/20 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
SCHEMBL1202618 0.80 FYN (0.61) NTRK1IKBKBFYN
SCHEMBL1203816 0.77 CXCR1 (0.52) KCNH2NTRK1NTRK3NTRK2FYN
SCHEMBL1202165 0.77 CXCR1 (0.52) KCNH2NTRK1NTRK3NTRK2FYN
SCHEMBL1202454 0.77 CXCR1 (0.52) KCNH2NTRK1NTRK3NTRK2NR3C1
SCHEMBL1202900 0.77 PPARD (0.46) NTRK1NTRK3NTRK2DHODHKIT
SCHEMBL1203558 0.76 KDM4E (0.47) KCNH2NTRK1NTRK3NTRK2DHODH
SCHEMBL1202024 0.76 KIT (0.45) DHODHKITDDR2DDR1IKBKB
SCHEMBL1203470 0.74 KCNQ3 (0.46) DHODHKITDDR2DDR1KDM4E
SCHEMBL1202836 0.73 NTRK1 (0.39) NTRK1NTRK3NTRK2IKBKBFYN
SCHEMBL1203271 0.73 KMT2A (0.48) LMNAMAPTHTT

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 KCNH2 944/4885NTRK1 755/4885NTRK3 756/4885

“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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