SCHEMBL3473330

SCHEMBL3473330

Cc1cncc(C(=O)C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.60
ATM Q13315 1/20 0.55
ACHE P22303 7/20 0.42
SMYD3 Q9H7B4 2/20 0.42
CES1 P23141 1/20 0.41
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
MLYCD O95822 2/20 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
SCHEMBL10274533 0.83 HCAR2 (0.58) HCAR2ATMSMYD3HTTRAB9A
SCHEMBL8237840 0.82 HCAR2 (0.62) HCAR2ATMSMYD3HTTRAB9A
SCHEMBL9706109 0.78 ACHE (0.60) HCAR2ACHECES1MLYCD
SCHEMBL29503159 0.78 HCAR2 (0.67) HCAR2ATMSMYD3HTTRAB9A
SCHEMBL832732 0.78 HCAR2 (0.67) HCAR2ATMSMYD3HTTRAB9A
SCHEMBL20186007 0.77 TPMT (0.52) ACHECES1MLYCD
SCHEMBL23181527 0.77 HCAR2 (0.41) HCAR2ACHECES1MLYCD
SCHEMBL16600044 0.77 POLB (0.60) HCAR2SMYD3HTTRAB9A
SCHEMBL7974908 0.77 HCAR2 (0.60) HCAR2ACHESMYD3CES1
Hydrochloric Acid SCHEMBL9706116 0.77 ACHE (0.58) HCAR2ACHECES1MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848610-B1 Inhibitors of kinase activity YM BIOSCIENCES AUSTRALIA PTY (AU) 2017-10-11 EP disclosed
EP-3048099-A2 INHIBITORS OF KINASE ACTIVITY YM BioSciences Australia Pty Ltd (AU) 2016-07-27 EP disclosed
US-9029386-B2 Pyridine derivatives useful as kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-05-12 US disclosed
EP-2848610-A1 Inhibitors of kinase activity YM BioSciences Australia Pty Ltd (AU) 2015-03-18 EP disclosed
US-8461161-B2 Substituted pyrazines as inhibitors of kinase activity YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2013-06-11 US disclosed
US-20130137660-A1 INHIBITORS OF KINASE ACTIVITY YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2013-05-30 US disclosed
US-20100130447-A1 INHIBITORS OF KINASE ACTIVITY YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2010-05-27 US disclosed
EP-2099774-A1 INHIBITORS OF KINASE ACTIVITY Cytopia Research Pty Ltd (AU) 2009-09-16 EP disclosed
WO-2008058341-A1 INHIBITORS OF KINASE ACTIVITY CYTOPIA RESEARCH PTY LTD (AU) 2008-05-22 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 (2 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-20130137660-A1 INHIBITORS OF KINASE ACTIVITY FRK, LCK, FLT3 HCAR2 1606/4885ATM 204/4885ACHE 2593/4885
US-20100130447-A1 INHIBITORS OF KINASE ACTIVITY FRK, LCK, FLT3 HCAR2 1606/4885ATM 204/4885ACHE 2593/4885

“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.