SCHEMBL2667929

SCHEMBL2667929

Cc1ccc2nc(C(C)C)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.59
NCK1 P16333 1/20 0.55
BACE1 P56817 1/20 0.55
CYP2A6 P11509 3/20 0.50
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 1/20 0.45
NQO2 P16083 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PSMB5 P28074 1/20 0.40
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38

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
SCHEMBL17179438 0.86 CYP1A2 (0.57) CYP1A2NCK1BACE1CYP2A6ALDH1A1
SCHEMBL12232392 0.85 AAK1 (0.50) CYP1A2NCK1BACE1CYP2A6ALDH1A1
SCHEMBL24357936 0.83 PDGFRB (0.43) CYP1A2NCK1BACE1ALDH1A1PSMB5
SCHEMBL8001362 0.82 CYP1A2 (0.57) CYP1A2NCK1BACE1CYP2A6ALDH1A1
SCHEMBL18760590 0.81 CYP1A2 (0.41) CYP1A2NCK1BACE1ALDH1A1NQO2
SCHEMBL2609300 0.80 HTR3A (0.46) BACE1CYP2A6ALDH1A1TDP1MEN1
SCHEMBL889349 0.80 NPC1 (0.43) CYP1A2NCK1BACE1ALDH1A1MEN1
SCHEMBL2609295 0.78 BACE1 (0.53) CYP1A2BACE1CYP2A6ALDH1A1KMT2A
SCHEMBL17066127 0.78 AAK1 (0.37) CYP1A2NCK1BACE1KDM4ENOS1
SCHEMBL23876999 0.78 ESR2 (0.50) CYP1A2ALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675847-B1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H LUNDBECK AS (DK) 2023-07-12 EP disclosed
EP-3405551-B1 NANOPARTICLES FOR USE IN LIGHT EMITTING APPLICATIONS CHROMITION LTD (GB) 2021-04-28 EP disclosed
EP-3715340-A1 PESTICIDALLY ACTIVE SEMI-CARBAZONES AND THIOSEMICARBAZONES DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-09-30 EP disclosed
EP-3247702-B1 PESTICIDALLY ACTIVE SEMI-CARBAZONES AND THIOSEMICARBAZONES DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-04-22 EP disclosed
WO-2019118571-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2019-06-20 WO disclosed
EP-2252605-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INST NAT SANTE RECH MED (FR) 2018-06-13 EP disclosed
WO-2018067704-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-04-12 WO disclosed
US-9708308-B2 Factor IXa inhibitors MERCK SHARP DOHME CORP. (US) 2017-07-18 US disclosed
US-9546153-B2 Bicyclic heterocycle substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-17 US disclosed
US-20150322056-A1 Factor IXa Inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-11-12 US disclosed
WO-2010075200-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-01 WO disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 US disclosed
US-20090105128-A1 CANNABINOID RECEPTOR TARGETED AGENT VANDERABILT UNIVERSITY 2009-04-23 US disclosed
US-20090105128-A1 CANNABINOID RECEPTOR TARGETED AGENT VANDERABILT UNIVERSITY 2009-04-23 US disclosed
WO-2009029727-A1 CANNABINOID RECEPTOR TARGETED AGENT VANDERBILT UNIVERSITY (US) 2009-03-05 WO disclosed
US-20080241873-A1 MULTI-USE MULTIMODAL IMAGING CHELATES BORNHOP DARRYL J 2008-10-02 US disclosed
US-20080241074-A1 MULTI-USE MULTIMODAL IMAGING CHELATES VANDERBILT UNIVERSITY 2008-10-02 US disclosed
US-7338651-B2 Multi-use multimodal imaging chelates TEXAS TECH UNIVERSITY SYSTEM (US) 2008-03-04 US disclosed
US-7338651-B2 Multi-use multimodal imaging chelates TEXAS TECH UNIVERSITY SYSTEM (US) 2008-03-04 US disclosed
WO-2006014618-A2 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2006-02-09 WO 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 (5 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-20150322056-A1 Factor IXa Inhibitors F9, F12, F8 CYP1A2 789/4885NCK1 4068/4885BACE1 2015/4885
US-20090105128-A1 CANNABINOID RECEPTOR TARGETED AGENT CNR1, CNR2, NPY1R CYP1A2 1089/4885NCK1 1929/4885BACE1 2333/4885
US-20080241074-A1 MULTI-USE MULTIMODAL IMAGING CHELATES PCNA, CLTC, CLTB CYP1A2 4559/4885NCK1 4079/4885BACE1 3210/4885
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR CYP1A2 73/4885NCK1 2979/4885BACE1 2102/4885
US-20080241873-A1 MULTI-USE MULTIMODAL IMAGING CHELATES PCNA, CLTC, CLTB CYP1A2 4559/4885NCK1 4079/4885BACE1 3210/4885

“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.