SCHEMBL128382

SCHEMBL128382

[CH2]Cc1cccnc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
TRPC5 Q9UL62 1/20 0.34
RBP4 P02753 1/20 0.34
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ELANE P08246 1/20 0.31
CDC7 O00311 1/20 0.31
MAP4K4 O95819 1/20 0.31
PIM1 P11309 1/20 0.31
PRKACA P17612 1/20 0.31
CDK2 P24941 1/20 0.31
GSK3B P49841 1/20 0.31
HIPK2 Q9H2X6 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
KCNA5 P22460 2/20 0.31
MAPT P10636 2/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL28051170 0.82 CD38 (0.36) CD38HDAC6TRPC5RBP4HTT
SCHEMBL30612302 0.80 KDM4E (0.42) CD38HDAC6TRPC5RBP4HTT
SCHEMBL2348709 0.80 DPP4 (0.42) CD38HDAC6TRPC5RBP4HTT
SCHEMBL29392684 0.80 DPP4 (0.42) CD38HDAC6TRPC5RBP4HTT
SCHEMBL12818788 0.80 CD38 (0.41) CD38HDAC6TRPC5RBP4HTT
SCHEMBL844943 0.80 KDM4E (0.42) CD38HDAC6TRPC5RBP4HTT
SCHEMBL843961 0.80 CD38 (0.36) CD38HDAC6TRPC5RBP4HTT
SCHEMBL13066846 0.80 CD38 (0.36) CD38HDAC6TRPC5RBP4HTT
SCHEMBL738750 0.80 TRPC5 (0.37) CD38HDAC6TRPC5RBP4HTT
Hydrochloric Acid SCHEMBL17292826 0.78 DPP4 (0.41) CD38HDAC6TRPC5RBP4HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 CD38 1058/4885HDAC6 1206/4885TRPC5 1038/4885

“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.