SCHEMBL13154657

SCHEMBL13154657

c1cnc2cc3c(cc2c1)NCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 1/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
CASP6 P55212 1/20 0.41
ALDH1A1 P00352 6/20 0.41
CASP1 P29466 3/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CASP7 P55210 2/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR4A2 P43354 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL13154647 0.93 NPC1 (0.43) POLBNPC1RAB9APDGFRBPDGFRA
SCHEMBL718762 0.81 NPC1 (0.44) POLBNPC1RAB9APDGFRBPDGFRA
SCHEMBL13154646 0.77 DRD2 (0.44) ALDH1A1MEN1KMT2AMAPTDRD2
SCHEMBL5755884 0.77 ALDH1A1 (0.56) POLBNPC1ALDH1A1CASP1HTT
SCHEMBL13549027 0.76 ALDH1A1 (0.42) POLBNPC1RAB9AALDH1A1CASP1
SCHEMBL13154640 0.76 DRD2 (0.41) POLBALDH1A1CASP1HTTMEN1
SCHEMBL13154648 0.75 EGFR (0.39) ALDH1A1MAPTDRD2DRD4
Quinoline SCHEMBL28176263 0.75 ALDH1A1 (0.57) POLBNPC1RAB9AALDH1A1CASP1
Quinoline SCHEMBL27674344 0.75 ALDH1A1 (0.57) POLBNPC1RAB9AALDH1A1CASP1
SCHEMBL21475276 0.74 NPC1 (0.48) POLBNPC1RAB9APDGFRBPDGFRA

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 POLB 2753/4885NPC1 3298/4885RAB9A 3563/4885
US-11980086-B2 Use of transition metal carbene complexes in organic light-emitting diodes (OLEDs) OCIAD2, OCIAD1, ICOSLG POLB 1026/4885NPC1 1209/4885RAB9A 2403/4885
US-20080018221-A1 Use Of Transition Metal Carbene Complexes In Organic Light-Emitting Diodes (Oleds) OCIAD2, OCIAD1, ICOSLG POLB 1026/4885NPC1 1209/4885RAB9A 2403/4885
US-20240074302-A1 USE OF TRANSITION METAL CARBENE COMPLEXES IN ORGANIC LIGHT-EMITTING DIODES (OLEDS) OCIAD2, OCIAD1, ICOSLG POLB 1026/4885NPC1 1209/4885RAB9A 2403/4885

“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.