SCHEMBL3686172

SCHEMBL3686172

O=C(O)c1cn(-c2ncccn2)c2cccc(C(F)(F)F)c12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RORC P51449 8/20 0.43
CYP2C9 P11712 4/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 1/20 0.43
CMA1 P23946 8/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
RBP4 P02753 1/20 0.38
P2RX7 Q99572 1/20 0.37

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
SCHEMBL3645958 0.80 RORC (0.43) DHODHRORCCYP2C9CYP3A4CYP2C19
SCHEMBL3685007 0.77 RORC (0.34) RORCP2RX7
SCHEMBL3678410 0.73 HTR3A (0.51) RORCCYP2C9CYP3A4CYP2C19
SCHEMBL13944895 0.70 RORC (0.42) RORCCYP2C9CYP3A4CYP2C19
SCHEMBL28012268 0.69 DHODH (0.44) DHODHHDAC6TAS2R14
SCHEMBL4237119 0.69 NCF1 (0.47) DHODHHDAC6RORCCYP2C9CYP3A4
SCHEMBL2037949 0.68 P2RX7 (0.62) P2RX7
SCHEMBL13945457 0.68 PARP1 (0.41) RORCCYP3A4
SCHEMBL13946093 0.68 PARP1 (0.41) CMA1
SCHEMBL9461001 0.64 LMNA (0.60) TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US disclosed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US disclosed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US disclosed
EP-2185560-A1 HETEROARYL AMIDE ANALOGUES H. Lundbeck A/S (DK) 2010-05-19 EP disclosed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 WO disclosed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 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-20120190680-A1 Heteroaryl Amide Analogues P2RX3, P2RX2, ADORA2A DHODH 2884/4885HDAC6 2272/4885RORC 635/4885

“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.