SCHEMBL3684730

SCHEMBL3684730

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
RORC P51449 10/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
IL1B P01584 4/20 0.35
P2RX7 Q99572 4/20 0.35
IDO1 P14902 1/20 0.34
ATM Q13315 1/20 0.34

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 0.84 RORC (0.43) RORCCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL13945457 0.83 PARP1 (0.41) RORCCYP3A4MEN1KMT2AKDM4E
SCHEMBL29051449 0.77 HTT (0.60) HTTKMT2AKDM4EIL1BP2RX7
SCHEMBL13706801 0.77 MEN1 (0.34) RORCCYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4523365 0.74 P2RX7 (0.48) MEN1KMT2AKDM4EIL1BP2RX7
SCHEMBL17818961 0.74 P2RX7 (0.58) HTTKDM4EIL1BP2RX7IDO1
SCHEMBL3686172 0.73 DHODH (0.44) RORCCYP3A4CYP2C9CYP2C19P2RX7
SCHEMBL17818795 0.72 P2RX7 (0.45) KDM4EIL1BP2RX7IDO1
SCHEMBL3640539 0.72 CNR2 (0.48) HTTKDM4EP2RX7ATM
SCHEMBL11885598 0.72 P2RX7 (0.46) KMT2AIL1BP2RX7

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 HTT 657/4885RORC 635/4885CYP3A4 1591/4885

“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.