SCHEMBL2737265

SCHEMBL2737265

CCc1ccnc(C(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53
NOS2 P35228 1/20 0.53
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
RIOK2 Q9BVS4 1/20 0.36
CHRNA7 P36544 1/20 0.35
TRPA1 O75762 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTSA P10619 2/20 0.33
PKM P14618 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL24885910 0.84 NOS3 (0.40) NOS3NOS1NOS2CYP1A2CYP2A6
SCHEMBL6636590 0.84 NOS3 (0.50) NOS3NOS1NOS2CYP1A2RIOK2
SCHEMBL6640934 0.84 NOS3 (0.50) NOS3NOS1NOS2CYP1A2RIOK2
SCHEMBL20889614 0.84 NOS3 (0.55) NOS3NOS1NOS2CYP2A6SMYD3
SCHEMBL13069319 0.84 NOS2 (0.37) NOS3NOS1NOS2CHRNA7ALDH1A1
SCHEMBL3507840 0.82 LOXL2 (0.52) NOS3NOS1NOS2CHRNA7LOXL2
SCHEMBL5102672 0.82 RECQL (0.52) NOS3NOS1NOS2CHRNA7LOXL2
SCHEMBL17778607 0.82 NOS3 (0.52) NOS3NOS1NOS2CHRNA7TRPA1
SCHEMBL12120626 0.82 GABRA1 (0.40) NOS3NOS1NOS2CHRNA7LMNA
SCHEMBL21185561 0.81 NOS3 (0.47) NOS3NOS1NOS2RIOK2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220134-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2023-11-16 WO disclosed
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 WO disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists CORCEPT THERAPEUTICS INCORPORATED (US) 2023-10-17 US disclosed
EP-3826721-B1 NAPHTHYRIDINE COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2023-10-11 EP disclosed
US-20230271950-A1 ANTIBACTERIAL PICOLINAMIDE COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-08-31 US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230201192-A1 METHODS AND MATERIALS FOR ASSESSING AND TREATING CANCER MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2023-06-29 US disclosed
WO-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed
WO-2023040793-A1 ANTI-INFLAMMATORY COMPOUND AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-03-23 WO disclosed
US-20090099170-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-04-16 US disclosed
EP-1414797-B9 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2009-04-15 EP disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 US disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
EP-1891951-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-02-27 EP disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
EP-1414797-B1 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2008-01-02 EP disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 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 (9 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-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists NR3C1, NR3C2, MC2R NOS3 3582/4885NOS1 4171/4885NOS2 3680/4885
US-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 NOS3 1409/4885NOS1 1557/4885NOS2 1488/4885
US-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B NOS3 1823/4885NOS1 1733/4885NOS2 2195/4885
US-20090099170-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 NOS3 349/4885NOS1 357/4885NOS2 422/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA NOS3 817/4885NOS1 3333/4885NOS2 3467/4885
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 NOS3 1151/4885NOS1 1930/4885NOS2 1871/4885
US-20230201192-A1 METHODS AND MATERIALS FOR ASSESSING AND TREATING CANCER SCD, SCD5, SPTLC1 NOS3 3278/4885NOS1 2565/4885NOS2 3453/4885
US-20230271950-A1 ANTIBACTERIAL PICOLINAMIDE COMPOUNDS RPL35, RPL5, RPL23 NOS3 4746/4885NOS1 4692/4885NOS2 4730/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 NOS3 2338/4885NOS1 2880/4885NOS2 2608/4885

“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.