SCHEMBL23098937

SCHEMBL23098937

c1ccc2cc(-c3cccc4c3[nH]c3cc5ccccc5cc34)ncc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.50
▸ BCHE P06276 1/20 0.43
▸ BTK Q06187 1/20 0.42
▸ TOP2A P11388 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ HTR5A P47898 1/20 0.41
▸ NPY5R Q15761 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ CDK4 P11802 4/20 0.37
▸ CCND1 P24385 4/20 0.37

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
SCHEMBL23099000 0.90 BCHE (0.54) NPC1BCHEBTKTOP2AHTR2B
SCHEMBL731645 0.77 NPC1 (0.62) NPC1BTKRAB9AL3MBTL1KDM4E
SCHEMBL28271036 0.75 NPC1 (0.74) NPC1BTKRAB9ANPY5RL3MBTL1
SCHEMBL17775035 0.73 KIF11 (0.55) NPC1BCHERAB9AHTR2BHTR5A
SCHEMBL29891581 0.71 HTR2B (0.65) BCHEHTR2BHTR5AKDM4ECYP1A2
SCHEMBL23098916 0.71 BCHE (0.42) BCHEHTR2BHTR5ACDK4CCND1
SCHEMBL24561302 0.71 KIF11 (0.42) BCHETOP2AHTR2BHTR5AL3MBTL1
SCHEMBL22026626 0.71 CCNE2 (0.43) HTR2BHTR5AL3MBTL1KDM4EGSK3B
SCHEMBL21448184 0.71 DYRK1A (0.50) HTR2BHTR5AL3MBTL1KDM4ECYP1A2
SCHEMBL30180883 0.71 DYRK1A (0.50) HTR2BHTR5AL3MBTL1KDM4ECYP1A2

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
US-11731990-B2 Carbazole-based Bodipys for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-08-22 — — US disclosed
EP-3621971-B1 CARBAZOLE-BASED BODIPYS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-06-23 — — EP disclosed
US-20210079024-A1 CARBAZOLE-BASED BODIPYS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-03-18 — — 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 (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-20210079024-A1 CARBAZOLE-BASED BODIPYS FOR ORGANIC ELECTROLUMINESCENT DEVICES CYP1B1, ECI1, FIS1 NPC1 797/4885BCHE 2575/4885BTK 920/4885
US-11731990-B2 Carbazole-based Bodipys for organic electroluminescent devices CYP1B1, ECI1, FIS1 NPC1 797/4885BCHE 2575/4885BTK 920/4885

“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.

Send feedback