SCHEMBL13154673

SCHEMBL13154673

c1cnc2c3c(ccc2n1)CCN3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 8/20 0.36
ADRA2C P18825 7/20 0.36
ADRA2B P18089 6/20 0.36
ADRA1D P25100 6/20 0.36
ADRA1A P35348 5/20 0.36
ADRA1B P35368 5/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 1/20 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
SCHEMBL4559899 0.79 CHRM2 (0.30) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31712931 0.74 ADRA2A (0.36) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL7375651 0.74 MAPT (0.52) KDM4EMAPTLMNACYP1A2CYP3A4
SCHEMBL13154645 0.74 LMNA (0.52) ADRA1AKDM4EALDH1A1MAPTLMNA
SCHEMBL30544820 0.70 PRKCI (0.31) KDM4EMAPT
SCHEMBL28760469 0.70 PRKCI (0.31) KDM4EMAPT
SCHEMBL13154666 0.69 NOTUM (0.44) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL87693 0.68 MAPT (0.50) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL29463681 0.68 MAPT (0.50) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL30335572 0.68 MAPT (0.50) ADRA2AADRA2CADRA2BADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11980086-B2 Use of transition metal carbene complexes in organic light-emitting diodes (OLEDs) UDC IRELAND LIMITED (IE) 2024-05-07 US disclosed
US-20240074302-A1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) UDC IRELAND LTD (IE) 2024-02-29 US disclosed
US-20140309428-A1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) BASF SE (DE) 2014-10-16 US disclosed
US-7803948-B2 Method for the isomerisation of transition metal complexes containing cyclometallated, carbene ligands BASF AKTIENGESELLSCHAFT (DE) 2010-09-28 US disclosed
US-20080200686-A1 Method for the Isomerisation of Transition Metal Complexes Containing Cyclometallated, Carbene Ligands BASF AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
US-20080018221-A1 Use Of Transition Metal Carbene Complexes In Organic Light-Emitting Diodes (Oleds) BASF AKTIENGESELLSCHAFT (DE) 2008-01-24 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 (4 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-20080200686-A1 Method for the Isomerisation of Transition Metal Complexes Containing Cyclometallated, Carbene Ligands SCO2, CYC1, CHRM1 ADRA2A 1527/4885ADRA2C 1248/4885ADRA2B 1742/4885
US-11980086-B2 Use of transition metal carbene complexes in organic light-emitting diodes (OLEDs) OCIAD2, OCIAD1, ICOSLG ADRA2A 3751/4885ADRA2C 3926/4885ADRA2B 3182/4885
US-20080018221-A1 Use Of Transition Metal Carbene Complexes In Organic Light-Emitting Diodes (Oleds) OCIAD2, OCIAD1, ICOSLG ADRA2A 3751/4885ADRA2C 3926/4885ADRA2B 3182/4885
US-20240074302-A1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) OCIAD2, OCIAD1, ICOSLG ADRA2A 3751/4885ADRA2C 3926/4885ADRA2B 3182/4885

“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.