SCHEMBL3609216

SCHEMBL3609216

Cc1cccc(-c2cccnc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 1.00
CCR1 P32246 1/20 0.56
CCR8 P51685 1/20 0.56
CYP3A4 P08684 3/20 0.53
KARS1 Q15046 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
PTK2 Q05397 1/20 0.51
CYP19A1 P11511 2/20 0.50
ALK Q9UM73 1/20 0.50
CYP2E1 P05181 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2B6 P20813 1/20 0.50
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.47
GRM5 P41594 1/20 0.47

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
SCHEMBL19009235 0.90 CYP2A6 (0.81) CYP2A6CCR1CCR8CYP3A4KARS1
SCHEMBL3194702 0.86 CYP2A6 (0.74) CYP2A6CYP3A4KARS1ALDH1A1CYP1A2
SCHEMBL15293831 0.82 CYP2A6 (0.68) CYP2A6CYP3A4KARS1ALDH1A1CYP1A2
SCHEMBL2237033 0.82 CYP2A6 (0.68) CYP2A6CCR1CCR8CYP3A4KARS1
SCHEMBL12339136 0.81 CYP2A6 (0.69) CYP2A6CYP3A4KARS1ALDH1A1CYP1A2
SCHEMBL12925671 0.81 CYP2A6 (0.69) CYP2A6CYP3A4KARS1ALDH1A1CYP1A2
SCHEMBL13097166 0.81 CYP2A6 (0.68) CYP2A6CYP3A4ALDH1A1CYP1A2HSP90AA1
SCHEMBL10181969 0.81 CYP2A6 (0.67) CYP2A6CCR1CCR8CYP3A4ALDH1A1
SCHEMBL3421988 0.80 CYP2A6 (0.67) CYP2A6CCR1CCR8
SCHEMBL4581601 0.80 CYP2A6 (0.67) CYP2A6CCR1CCR8KMT2AGRM5

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 245 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11877506-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2024-01-16 US disclosed
US-11818932-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-14 US disclosed
US-11800785-B2 Material for organic device and organic electroluminescent device using the same KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-10-24 US disclosed
US-11800785-B2 Material for organic device and organic electroluminescent device using the same KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-10-24 US disclosed
US-20230276708-A1 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-08-31 US disclosed
US-11723263-B2 Organic electroluminescent element KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-08-08 US disclosed
US-11723263-B2 Organic electroluminescent element KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-08-08 US disclosed
US-11706973-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-18 US disclosed
US-11696496-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-04 US disclosed
US-11678498-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-13 US disclosed
US-20080188527-A1 Synthetic Compounds and Derivatives as Modulators of Smoking or Nicotine Ingestion and Lung Cancer HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2008-08-07 US disclosed
EP-1930329-A1 1,3,5-TRIAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING SAME AS COMPONENT Tosoh Corporation (JP) 2008-06-11 EP disclosed
US-7307171-B2 Materials and methods for inhibiting fouling of surfaces exposed to aquatic environments UNIVERSITY OF FLORIDA (US) 2007-12-11 US disclosed
WO-2007098961-A1 4, 5, 6,7-TETRAHYDROBENZO[B]THIOPHENE DERIVATIVES AND THEIR USE AS SIGMA RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-07 WO disclosed
EP-1829869-A1 4,5,6,7-Tetrahydrobenzo[b]thiophene derivatives and their use as sigma receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP disclosed
US-7087106-B2 Materials and methods for inhibiting fouling of surfaces exposed to aquatic environments UNIVERSITY OF FLORIDA (US) 2006-08-08 US disclosed
US-20050159454-A1 Materials and methods for inhibiting fouling of surfaces exposed to aquatic environments KEM WILLIAM R (US) 2005-07-21 US disclosed
WO-2005066162-A1 SYNTHETIC COMPOUNDS AND DERIVATIVES AS MODULATORS OF SMOKING OR NICOTINE INGESTION AND LUNG CANCER HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2005-07-21 WO disclosed
WO-2005023942-A2 MATERIALS AND METHODS FOR INHIBITING FOULING OF SURFACES EXPOSED TO AQUATIC ENVIRONMENTS UNIVERSITY OF FLORIDA (US) 2005-03-17 WO disclosed
US-20040235901-A1 Materials and methods for inhibiting fouling of surfaces exposed to aquatic environments DUKE UNIVERSITY 2004-11-25 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 (6 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-11877506-B2 Polycyclic aromatic compound F11, C1R, RNF31 CYP2A6 1085/4885CCR1 59/4885CCR8 689/4885
US-20230276708-A1 Polycyclic aromatic compound ACVR1B, XDH, AHR CYP2A6 303/4885CCR1 300/4885CCR8 943/4885
US-20080188527-A1 Synthetic Compounds and Derivatives as Modulators of Smoking or Nicotine Ingestion and Lung Cancer CYP2A13, CYP2A6, CYP2B6 CYP2A6 2/4885CCR1 2727/4885CCR8 3198/4885
US-11706973-B2 Condensed cyclic compound and organic light-emitting device including the same C1S, CCNT1, C9 CYP2A6 213/4885CCR1 72/4885CCR8 874/4885
US-11723263-B2 Organic electroluminescent element NR4A3, AFF4, NR4A1 CYP2A6 2062/4885CCR1 1726/4885CCR8 1873/4885
US-11800785-B2 Material for organic device and organic electroluminescent device using the same RER1, LEF1, CHRM1 CYP2A6 3304/4885CCR1 255/4885CCR8 1880/4885

“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.