SCHEMBL10240737

SCHEMBL10240737

CC(C)NCCCn1ccnc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 7/20 0.61
TBXAS1 P24557 4/20 0.57
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
ALOX15 P16050 1/20 0.48
SOD1 P00441 1/20 0.48
PRKCI P41743 1/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 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
SCHEMBL16589334 0.95 TBXAS1 (0.60) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL278416 0.89 QPCT (0.53) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL20850658 0.84 QPCT (0.47) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL8648371 0.83 QPCT (0.56) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL27291103 0.82 L3MBTL1 (0.54) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL806605 0.79 TBXAS1 (0.63) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL14819376 0.79 QPCT (0.55) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL19786259 0.79 TBXAS1 (0.68) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL23718100 0.79 TBXAS1 (0.62) QPCTTBXAS1CYP1A2CYP3A4CYP2D6
SCHEMBL14268247 0.77 QPCT (0.44) QPCTTBXAS1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230226096-A1 CIRCULAR RNA COMPOSITIONS AND METHODS ORNA THERAPEUTICS, INC. 2023-07-20 US disclosed
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-06-01 US disclosed
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-06-01 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230050819-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-02-16 US disclosed
US-11446299-B2 Carbazole EHop-016 derivatives as anticancer and anti-migratory agents UNIVERSITY OF PUERTO RICO (US) 2022-09-20 US disclosed
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-23 US disclosed
WO-2021219828-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2021-11-04 WO disclosed
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-10-14 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20080275092-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
US-20080275092-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
US-7396935-B2 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 US disclosed
US-7396935-B2 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-7250413-B2 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CUMBRE PHARMACEUTICALS INC. (US) 2007-07-31 US disclosed
US-7208602-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-04-24 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 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 (11 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-20080275092-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAPK6, CDK6, GRK6 QPCT 1202/4885TBXAS1 1912/4885CYP1A2 561/4885
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 QPCT 1711/4885TBXAS1 417/4885CYP1A2 3396/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 QPCT 1937/4885TBXAS1 1560/4885CYP1A2 1463/4885
US-11446299-B2 Carbazole EHop-016 derivatives as anticancer and anti-migratory agents CDC42, ARHGEF2, HRAS QPCT 2779/4885TBXAS1 3557/4885CYP1A2 2085/4885
US-20230050819-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE CYFIP2, TPX2, ATXN2 QPCT 438/4885TBXAS1 855/4885CYP1A2 4369/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS QPCT 1583/4885TBXAS1 201/4885CYP1A2 507/4885
US-20230226096-A1 CIRCULAR RNA COMPOSITIONS AND METHODS RTCB, HNRNPA1, HNRNPAB QPCT 2507/4885TBXAS1 2858/4885CYP1A2 4721/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 QPCT 600/4885TBXAS1 313/4885CYP1A2 1418/4885
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 CLK1, CLK2, CLK3 QPCT 4406/4885TBXAS1 2431/4885CYP1A2 3812/4885
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors TLR9, TLR7, TLR8 QPCT 3671/4885TBXAS1 1389/4885CYP1A2 3913/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE QPCT 3494/4885TBXAS1 794/4885CYP1A2 4558/4885

“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.