SCHEMBL822572

SCHEMBL822572

Cn1nc2ccc3cnccc3c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 4/20 0.39
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
SLC2A1 P11166 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
GSK3B P49841 2/20 0.36
DYRK1A Q13627 2/20 0.36
NFATC1 O95644 1/20 0.36
ERN1 O75460 1/20 0.36
HASPIN Q8TF76 1/20 0.36
HTT P42858 2/20 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
SCHEMBL822536 0.77 SLC2A1 (0.58) KDM4ECYP1A2CYP3A4SLC2A1ATM
SCHEMBL17917463 0.71 IMPDH2 (0.43) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL14281096 0.70 MEN1 (0.44) KDM4ELMNACYP1A2SLC2A1MAPT
SCHEMBL445595 0.70 IMPDH2 (0.58) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL822544 0.69 ATM (0.42) KDM4ELMNAGSK3BDYRK1ANFATC1
SCHEMBL24402911 0.68 CCR1 (0.35) SLC2A1ATMMAPK1MAPTCASP1
Bromide SCHEMBL27922950 0.68 IMPDH2 (0.56) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL12731942 0.67 CCR1 (0.54) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL822768 0.66 HTR2A (0.42) IMPDH2KDM4ELMNACYP1A2CYP3A4
SCHEMBL17917476 0.64 IMPDH2 (0.44) IMPDH2KDM4ELMNACYP1A2CYP3A4

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
EP-2590967-B1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS UDC IRELAND LTD (IE) 2019-05-15 EP disclosed
US-9067919-B2 Use of dibenzofurans and dibenzothiophenes substituted by nitrogen-bonded five-membered heterocyclic rings in organic electronics BASF SE (DE) 2015-06-30 US disclosed
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 US 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-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS DDT, DBF4, POU5F1 IMPDH2 1481/4885KDM4E 1835/4885LMNA 4771/4885

“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.