SCHEMBL3513622

SCHEMBL3513622

[O]CCNC(=O)c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.62
NAAA Q02083 1/20 0.62
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2C9 P11712 1/20 0.60
KDM4E B2RXH2 1/20 0.59
MPO P05164 1/20 0.59
CYP3A4 P08684 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2A6 P11509 1/20 0.59
MAPT P10636 1/20 0.58
EPHX2 P34913 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56

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
SCHEMBL9339173 0.90 MAPT (0.69) RAB9ANAAACYP1A2CYP2C19CYP2C9
SCHEMBL3513082 0.89 NAAA (0.68) RAB9ANAAACYP1A2CYP2C19CYP2C9
SCHEMBL65822 0.84 RAB9A (0.62) RAB9ANAAACYP1A2CYP2C19CYP2C9
SCHEMBL16469025 0.84 NAAA (0.83) RAB9ANAAACYP1A2CYP2C19CYP2C9
SCHEMBL22848360 0.82 RAB9A (0.60) RAB9ANAAACYP1A2CYP2C19CYP2C9
SCHEMBL4439302 0.82 CYP1A2 (0.62) RAB9ANAAACYP1A2CYP2C19CYP2C9
SCHEMBL6359135 0.82 NAAA (0.75) RAB9ANAAACYP1A2CYP2C19CYP2C9
SCHEMBL18643377 0.82 CYP1A2 (0.61) RAB9ANAAACYP1A2CYP2C19CYP2C9
SCHEMBL7868059 0.81 NAAA (0.63) RAB9ANAAACYP1A2CYP2C19CYP2C9
SCHEMBL3513083 0.81 NAAA (0.68) RAB9ANAAACYP1A2CYP2C19CYP2C9

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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB RAB9A 1851/4885NAAA 1774/4885CYP1A2 836/4885

“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.