SCHEMBL1203002

SCHEMBL1203002

O=C(Nc1ccccc1)c1cnc2ccc(N3Cc4ccccc4C3)nn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 2/20 0.44
▸ IRAK4 Q9NWZ3 3/20 0.44
▸ KDR P35968 2/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ KIT P10721 1/20 0.38
▸ DDR1 Q08345 1/20 0.38
▸ DDR2 Q16832 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ATR Q13535 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ FYN P06241 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36

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
SCHEMBL1203496 0.92 PTPN11 (0.53) PTPN11IRAK4KDRPDGFRBTP53
SCHEMBL1203484 0.82 DDR2 (0.44) IRAK4KITDDR1DDR2NTRK1
SCHEMBL1202738 0.80 IRAK4 (0.41) IRAK4NTRK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1203710 0.78 CLK1 (0.43) IRAK4NTRK1MAPTALDH1A1
SCHEMBL1202888 0.78 FYN (0.39) IRAK4NTRK1FYN
SCHEMBL1203470 0.78 KCNQ3 (0.46) KITDDR1DDR2NPC1RAB9A
SCHEMBL1202894 0.77 CYP3A4 (0.49) KITDDR1DDR2MAPTRAB9A
SCHEMBL1203606 0.77 FYN (0.59) ATRFYN
SCHEMBL1202745 0.77 MKNK1 (0.56) IRAK4KITDDR1DDR2MAPT
SCHEMBL14897368 0.76 IRAK4 (0.46) IRAK4TP53MAPTNPC1RAB9A

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 PTPN11 971/4885IRAK4 31/4885KDR 479/4885

“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.

Send feedback