SCHEMBL2065802

SCHEMBL2065802

[c]1nnc2ccccc2c1-c1ncc2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.49
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
GPR3 P46089 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGFR P00533 1/20 0.33
METAP1 P53582 1/20 0.33
HTR3A P46098 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 3/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
ACHE P22303 1/20 0.31
MEN1 O00255 1/20 0.30
AGTR1 P30556 1/20 0.30

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
SCHEMBL5073238 0.76 GPR3 (0.39) GPR3LMNAEGFR
SCHEMBL4574523 0.74 RAB9A (0.42) CYP1A2MAPTNPC1RAB9AGPR3
SCHEMBL6707380 0.74 CYP1A2 (0.36) CYP1A2MAPTNPC1RAB9AGPR3
SCHEMBL299834 0.73 NPC1 (0.42) CYP1A2MAPTNPC1RAB9AGPR3
SCHEMBL30198446 0.73 CYP1A2 (0.60) CYP1A2MAPTNPC1RAB9AGPR3
SCHEMBL1672650 0.73 CYP1A2 (0.60) CYP1A2MAPTNPC1RAB9AGPR3
SCHEMBL30527184 0.73 CYP1A2 (0.60) CYP1A2MAPTNPC1RAB9AGPR3
SCHEMBL13649235 0.72 CYP1A2 (0.61) CYP1A2MAPTNPC1RAB9AGPR3
SCHEMBL17376382 0.72 CYP1A2 (0.49) CYP1A2MAPTNPC1RAB9AGPR3
SCHEMBL28183808 0.71 CYP1A2 (0.70) CYP1A2MAPTNPC1RAB9AGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777441-B2 FOR THERAPY AND PROPHYLAXIS EMORY UNIVERSITY 2004-08-17 US claimed
EP-0432040-B2 Heterocyclic derivatives of acylaminothiazole, their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1997-12-17 EP claimed
CN-118109145-A Adhesive composition, adhesive layer, polarizing plate with adhesive layer, and display device 住友化学株式会社 2024-05-31 CN disclosed
CN-117915677-A Organic light emitting device 三星显示有限公司 2024-04-19 CN disclosed
CN-114026097-B Substituted pyrazoloquinazolinone compounds and uses thereof 上海瑛派药业有限公司 2024-02-23 CN disclosed
CN-117062455-A Organic light emitting device and electronic apparatus including the same 三星显示有限公司 2023-11-14 CN disclosed
EP-3946607-A1 BIVALENT ANTAGONISTS OF INHIBITORS OF APOPTOSIS PROTEINS Hepagene Therapeutics (HK) Limited (HK) 2022-02-09 EP disclosed
WO-2020206000-A1 BIVALENT ANTAGONISTS OF INHIBITORS OF APOPTOSIS PROTEINS Hepagene Therapeutics (HK) Limited (CN) 2020-10-08 WO disclosed
EP-3068752-A1 AMINE SALTS OF A PROSTACYCLIN ANALOG Cayman Chemical Company Incorporated (US) 2016-09-21 EP disclosed
WO-2015073314-A1 AMINE SALTS OF A PROSTACYCLIN ANALOG CAYMAN CHEMICAL COMPANY INCORPORATED (US) 2015-05-21 WO disclosed
EP-2702043-A1 INHIBITORS OF INDUCIBLE FORM OF 6-PHOSPHOFRUCTOSE-2-KINASE Exelixis, Inc. (US) 2014-03-05 EP disclosed
WO-2010139731-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2010-12-09 WO disclosed
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. (US) 2009-08-13 US disclosed
US-20070105781-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-0980357-A1 SUBSTITUTED TETRAHYDRO ISOQUINOLINES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-02-23 EP disclosed
US-6004979-A ANGIOTENSIN II INHIBITORS; 4-((CARBOXY)ARYLOXY)-QUINOLINE DERIVATIVES HOECHST MARION ROUSSEL (FR) 1999-12-21 US disclosed
WO-1998050363-A1 SUBSTITUTED TETRAHYDRO ISOQUINOLINES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed
US-5817674-A ANTIOTENSIN II RECEPTOR ANTAGONISTS ROUSSEL UCLAF (FR) 1998-10-06 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 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 (3 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 CYP1A2 1864/4885MAPT 56/4885NPC1 429/4885
US-20070105781-A1 Inhibitors of serine proteases PRSS1, SERPINB1, PRSS3 CYP1A2 2269/4885MAPT 2166/4885NPC1 626/4885
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 CYP1A2 4792/4885MAPT 4376/4885NPC1 1052/4885

“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.