SCHEMBL3780970

SCHEMBL3780970

CNc1ccc(-c2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.56
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.48
NOTUM Q6P988 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AKT1 P31749 1/20 0.43
PABPC1 P11940 1/20 0.43
APOBEC3A P31941 1/20 0.43
EIF4H Q15056 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 1/20 0.42
CTSD P07339 1/20 0.42

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
SCHEMBL84825 0.84
SCHEMBL5147226 0.84 KIF11 (0.64) KIF11MAPTSMN1; SMN2ALDH1A1HPGD
Fluoride SCHEMBL29031926 0.81
Hydrochloric Acid SCHEMBL27865056 0.81
Hydrochloric Acid SCHEMBL28137223 0.81 CTSD (0.55) KIF11MAPTLMNAKDM4EALDH1A1
SCHEMBL12240924 0.80 RAD52 (0.60) KIF11MAPTKDM4EALDH1A1POLB
SCHEMBL21012394 0.79 MAPT (0.61) KIF11MAPTLMNASMN1; SMN2NOTUM
SCHEMBL27893422 0.78 KIF11 (0.44) KIF11TSHRAAK1CYP3A4APP
SCHEMBL135626 0.78 MAPT (0.92) KIF11MAPTLMNASMN1; SMN2NOTUM
SCHEMBL10000032 0.78 MAPT (0.92) KIF11MAPTLMNASMN1; SMN2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 US disclosed
EP-4201404-A1 ANTIVIRAL COMPOUNDS FOR USE IN THE TREATMENT OF CORONAVIRUS INFECTION Erasmus University Rotterdam Medical Center (NL) 2023-06-28 EP disclosed
WO-2021135183-A1 ORGANIC COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed
US-10196376-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2019-02-05 US disclosed
EP-3312160-A1 HEPATITIS B ANTIVIRAL AGENTS Novira Therapeutics Inc. (US) 2018-04-25 EP disclosed
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC 2017-11-23 US disclosed
US-9751857-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-09-05 US disclosed
US-9676747-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-06-13 US disclosed
CN-104744434-A ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORP 2015-07-01 CN disclosed
US-9061008-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2015-06-23 US disclosed
CN-101277689-B Thiazolopyrimidine kinase inhibitors JANSSEN PHARMACEUTICA NV 2011-01-12 CN disclosed
CN-101333219-B Penem derivates with mercapto pyrrolidine formamide benzene alkyl heterocycle SHANDONG XUANZHU PHARM TECH CO 2010-10-13 CN disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
CN-101528710-A Aminomethyl-4-imidazoles HOFFMANN LA ROCHE (CH) 2009-09-09 CN disclosed
CN-101370792-A Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN INC (US) 2009-02-18 CN disclosed
CN-101333219-A Penem derivates with mercapto pyrrolidine formamide benzene alkyl heterocycle SHANDONG XUANZHU MEDICAL SCI T (CN) 2008-12-31 CN disclosed
CN-101277689-A Thiazolopyrimidine kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2008-10-01 CN disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
CN-100355751-C 2-substd. 4-heteroaryl-pyrimidines and their use in treatment of proliferative disorders CYCLACEL LTD (GB) 2007-12-19 CN disclosed
CN-1420884-A 2-substituted 4-heteroaryl-pyrimidines and their use in the treatment of proliferative diseases CYCLACEL LTD (GB) 2003-05-28 CN 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 (4 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-10196376-B2 Hepatitis B antiviral agents HAVCR2, EIF2AK2, IRF3 KIF11 3872/4885MAPT 4607/4885LMNA 3521/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 KIF11 3999/4885MAPT 3312/4885LMNA 3250/4885
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION ALDH1A2, PDE6D, PDE6C KIF11 2110/4885MAPT 21/4885LMNA 192/4885
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 KIF11 3872/4885MAPT 4607/4885LMNA 3521/4885

“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.