SCHEMBL578312

SCHEMBL578312

C#Cc1ccc(N2CCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.53
ALDH1A1 P00352 8/20 0.48
MAPT P10636 6/20 0.48
KDM4E B2RXH2 4/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
TP53 P04637 3/20 0.48
ALOX15 P16050 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GAA P10253 2/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TRIM24 O15164 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
SCHEMBL1136937 0.98 ALDH1A1 (0.52) AKR1C3ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL28704374 0.95 AKR1C3 (0.53) AKR1C3ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL4552322 0.83 AKR1C3 (0.68) AKR1C3ALDH1A1MAPTKDM4ETP53
SCHEMBL14662327 0.82 L3MBTL3 (0.73) L3MBTL1L3MBTL3
SCHEMBL10300050 0.81 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EL3MBTL1TP53
SCHEMBL13353048 0.81 MAPT (0.57) AKR1C3ALDH1A1MAPTKDM4ETP53
SCHEMBL12494973 0.81 AKR1C3 (0.66) AKR1C3ALDH1A1MAPTKDM4ETP53
SCHEMBL20639815 0.81 AKR1C3 (0.53) AKR1C3ALDH1A1MAPTKDM4ETP53
SCHEMBL2233776 0.81 ADRB1 (0.57) AKR1C3ALDH1A1KDM4EHSD17B10USP2
SCHEMBL21115169 0.81 AKR1C3 (0.45) AKR1C3ALDH1A1KDM4ETP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114025847-B Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2024-05-24 CN disclosed
US-20220298155-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-09-22 US disclosed
US-11299487-B2 Compounds and compositions as modulators of TLR signaling NEUROPORE THERAPIES, INC. (US) 2022-04-12 US disclosed
EP-3946599-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING Neuropore Therapies, Inc. (US) 2022-02-09 EP disclosed
CN-114025847-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2022-02-08 CN disclosed
US-20200308163-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 US disclosed
US-20200308163-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 US disclosed
WO-2020198368-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 WO disclosed
WO-2020198368-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 WO disclosed
US-RE47731-E1 Kinase inhibitors and method of treating cancer with same UNIV HEALTH NETWORK (CA) 2019-11-19 US disclosed
EP-2556070-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'- INDOLIN]-2'-ONES University Health Network (CA) 2013-02-13 EP disclosed
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2012-10-18 US disclosed
US-8263596-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2012-09-11 US disclosed
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2012-06-14 US disclosed
EP-2417127-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2012-02-15 EP disclosed
CN-102333772-A Antiviral compounds ABBOTT LAB 2012-01-25 CN disclosed
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2011-10-27 US disclosed
WO-2011123946-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
WO-2011123947-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'- INDOLIN]-2'-ONES UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 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 (6 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-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 AKR1C3 1894/4885ALDH1A1 2389/4885MAPT 2002/4885
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 AKR1C3 2667/4885ALDH1A1 2633/4885MAPT 1467/4885
US-20220298155-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 AKR1C3 4665/4885ALDH1A1 4634/4885MAPT 100/4885
US-20200308163-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 AKR1C3 4665/4885ALDH1A1 4634/4885MAPT 100/4885
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 AKR1C3 1894/4885ALDH1A1 2389/4885MAPT 2002/4885
US-11299487-B2 Compounds and compositions as modulators of TLR signaling TLR3, TLR6, TLR4 AKR1C3 4549/4885ALDH1A1 4515/4885MAPT 124/4885

“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.