SCHEMBL5555378

SCHEMBL5555378

CC(=O)Nc1ccc(C(C)C)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.59
DEGS1 O15121 2/20 0.55
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.46
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
NSD2 O96028 1/20 0.43
NPC1 O15118 2/20 0.43
FFAR2 O15552 1/20 0.43
GRIN2B Q13224 1/20 0.42
CDK2 P24941 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
PDE4A P27815 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL32666863 1.00 PTK2 (0.59) PTK2DEGS1CYP1A2GAAKMT2A
SCHEMBL14824272 0.88 PTK2 (0.57) PTK2DEGS1CYP1A2GAAKMT2A
SCHEMBL23270830 0.86 DEGS1 (0.55) PTK2DEGS1RAB9AMAPTL3MBTL1
SCHEMBL19728673 0.84 DEGS1 (0.54) DEGS1RAB9AMAPTL3MBTL1KDM4E
SCHEMBL23139476 0.83 DEGS1 (0.52) PTK2DEGS1RAB9AMAPTL3MBTL1
SCHEMBL2054674 0.83 DEGS1 (0.52) PTK2DEGS1KMT2ARAB9AMAPT
SCHEMBL8252662 0.82 DEGS1 (0.49) DEGS1
SCHEMBL19107529 0.82 DEGS1 (0.48) PTK2DEGS1CYP1A2GAAKMT2A
SCHEMBL29376899 0.81 DEGS1 (0.51) DEGS1RAB9AMAPTL3MBTL1NPC1
SCHEMBL9888659 0.81 DEGS1 (0.51) PTK2DEGS1CYP1A2GAARAB9A

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-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-09-14 US disclosed
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-09-14 US disclosed
US-20230227446-A9 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2023-07-20 US disclosed
US-20230227446-A9 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2023-07-20 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
WO-2023067322-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2023-04-27 WO disclosed
US-20230060011-A1 ANTIBACTERIAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-02-23 US disclosed
US-20230050819-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-02-16 US disclosed
WO-2012052745-A1 COMBINATIONS OF PI3K INHIBITORS WITH A SECOND ANTI -TUMOR AGENT CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-04-26 WO disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-09-29 US disclosed
US-20100240657-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010034838-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
US-7569589-B2 Potassium channel inhibitors MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
WO-2009003998-A2 ANTIPROLIFERATIVE COMPOUNDS BASED ON 5-MEMBERED HETEROCYCLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-08 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 (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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR PTK2 185/4885DEGS1 2793/4885CYP1A2 3870/4885
US-20230060011-A1 ANTIBACTERIAL COMPOUNDS GAA, MGAM, NQO1 PTK2 4029/4885DEGS1 3111/4885CYP1A2 375/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C PTK2 2104/4885DEGS1 3849/4885CYP1A2 928/4885
US-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 PTK2 908/4885DEGS1 831/4885CYP1A2 174/4885
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE NEDD4, CBL, UBQLN2 PTK2 3843/4885DEGS1 4366/4885CYP1A2 4867/4885
US-20230050819-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE CYFIP2, TPX2, ATXN2 PTK2 1737/4885DEGS1 3302/4885CYP1A2 4369/4885
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 PTK2 1981/4885DEGS1 1232/4885CYP1A2 386/4885
US-20230227446-A9 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KB, PI4KA, PIK3CD PTK2 205/4885DEGS1 973/4885CYP1A2 2991/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 PTK2 1688/4885DEGS1 3870/4885CYP1A2 380/4885
US-20100240657-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 PTK2 1701/4885DEGS1 832/4885CYP1A2 92/4885
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C PTK2 2104/4885DEGS1 3849/4885CYP1A2 928/4885

“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.