SCHEMBL1203092

SCHEMBL1203092

O=C(Cc1cnc2ccc(CCc3ccccc3)nn12)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ RET P07949 2/20 0.42
▸ FYN P06241 4/20 0.41
▸ GRK5 P34947 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAP2K7 O14733 1/20 0.39

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
SCHEMBL1203163 0.86 FYN (0.46) FYNGRK5MKNK1
SCHEMBL1202168 0.75 FYN (0.47) FYNGRK5
SCHEMBL1202979 0.72 MAPT (0.48) MAPTHTTFYNLMNAMEN1
SCHEMBL21076445 0.70 GGPS1 (0.48) EPHX2MAPTHTTRETMEN1
SCHEMBL1516167 0.66 EPHX2 (1.00) EPHX2MAPTHTTHDAC3HDAC4
Hydrochloric Acid SCHEMBL27735879 0.65 EPHX2 (0.96) EPHX2MAPTHTTHDAC3HDAC4
SCHEMBL3061430 0.63 MAPT (1.00) EPHX2MAPTHTTHDAC3HDAC4
SCHEMBL6100233 0.63 EPHX2 (0.71) EPHX2MAPTHTTHDAC3HDAC4
SCHEMBL10054999 0.63 EPHX2 (0.92) EPHX2MAPTHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL27689202 0.62 MAPT (0.96) EPHX2MAPTHTTHDAC3HDAC4

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 EPHX2 4602/4885MAPT 3988/4885HTT 4601/4885

“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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