SCHEMBL1203027

SCHEMBL1203027

CN(Cc1ccc(F)cc1)c1ccc2ncc(C(=O)O)n2n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.48
▸ NTRK3 Q16288 1/20 0.48
▸ NTRK2 Q16620 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CXCR1 P25024 2/20 0.42
▸ CXCR2 P25025 2/20 0.42
▸ TGFBR1 P36897 7/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ TGFBR2 P37173 5/20 0.39
▸ FYN P06241 4/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ GRK5 P34947 1/20 0.38
▸ KCNH2 Q12809 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
SCHEMBL1202379 0.86 NTRK1 (0.47) NTRK1NTRK3NTRK2KDM4ELMNA
SCHEMBL19613847 0.84 NTRK1 (0.39) NTRK1NTRK3NTRK2KDM4ELMNA
SCHEMBL1203816 0.82 CXCR1 (0.52) NTRK1NTRK3NTRK2MAPTCXCR1
SCHEMBL1202454 0.82 CXCR1 (0.52) NTRK1NTRK3NTRK2MAPTCXCR1
SCHEMBL1202165 0.82 CXCR1 (0.52) NTRK1NTRK3NTRK2LMNAMAPT
SCHEMBL2902263 0.81 PPARA (0.39) KDM4EMAPTCXCR1CXCR2TGFBR1
SCHEMBL1202088 0.74 FYN (0.63) NTRK1NTRK3NTRK2KDM4EFYN
SCHEMBL16935984 0.72 TGFBR1 (0.40) NTRK1NTRK3NTRK2KDM4ELMNA
SCHEMBL1203558 0.71 KDM4E (0.47) NTRK1NTRK3NTRK2KDM4EMAPT
SCHEMBL1203079 0.71 KCNH2 (0.44) NTRK1NTRK3NTRK2KDM4ELMNA

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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