SCHEMBL338229

SCHEMBL338229

Brc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.48
DHFR P00374 2/20 0.47
KCNH2 Q12809 5/20 0.46
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL13173420 0.85 DHFR (0.47) HRH3DHFRKCNH2CA12CA9
SCHEMBL1104836 0.85 HRH3 (0.52) HRH3DHFRKCNH2CA12CA9
SCHEMBL337976 0.83 ESR2 (0.47) HRH3DHFRKCNH2
SCHEMBL13376084 0.83 HTT (0.56) HRH3DHFR
SCHEMBL18221919 0.83 DHFR (0.44) HRH3DHFR
SCHEMBL12601173 0.81 DHFR (0.48) HRH3DHFRKCNH2
SCHEMBL338245 0.81 ESR1 (0.54)
SCHEMBL12912581 0.80 SIRT2 (0.50) DHFR
SCHEMBL18221927 0.80 CTSD (0.45) HRH3DHFRKCNH2
SCHEMBL30172357 0.78 ESR2 (0.53) HRH3DHFRKCNH2

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
US-20230120308-A1 COMPOUND, MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2023-04-20 US disclosed
EP-4124619-A1 COMPOUND, MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE COMPOUND Idemitsu Kosan Co., Ltd. (JP) 2023-02-01 EP disclosed
US-8097349-B2 Nitrogen containing heterocycle derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2012-01-17 US disclosed
US-7851071-B2 2-[4-(10-naphthalene-2-yl-anthracene-9-yl)-phenyl]-1-phenyl-1H-benzimidazole; elevation of luminance and of efficiency in light emission even under low driving voltage IDEMITSU KOSAN CO., LTD. (JP) 2010-12-14 US disclosed
US-20100193773-A1 Nitrogen-containing heterocycle derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD, (JP) 2010-08-05 US disclosed
EP-2174932-A2 Nitrogen-containing heterocycle derivative and organic electroluminescent element using the same Idemitsu Kosan Co., Ltd. (JP) 2010-04-14 EP disclosed
EP-2174933-A2 Nitrogen-containing heterocycle derivative and organic electroluminescent element using the same Idemitsu Kosan Co., Ltd. (JP) 2010-04-14 EP disclosed
US-20060147747-A1 2-[4-(10-naphthalene-2-yl-anthracene-9-yl)-phenyl]-1-phenyl-1H-benzimidazole; elevation of luminance and of efficiency in light emission even under low driving voltage IDEMITSU KOSAN CO., LTD. (JP) 2006-07-06 US disclosed
EP-1602648-A1 NITROGEN-CONTAINING HETEROCYCLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2005-12-07 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 (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-20230120308-A1 COMPOUND, MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE COMPOUND ODC1, OR10J3, PIEZO1 HRH3 3524/4885DHFR 653/4885KCNH2 37/4885
US-20100193773-A1 Nitrogen-containing heterocycle derivative and organic electroluminescent element using the same NSD1, EED, ERG HRH3 1094/4885DHFR 1095/4885KCNH2 305/4885

“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.