SCHEMBL3785602

SCHEMBL3785602

CCOc1cc(N)ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
GAA P10253 4/20 0.59
KDM4E B2RXH2 3/20 0.59
SYK P43405 1/20 0.53
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 4/20 0.47
XBP1 P17861 2/20 0.47
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 7/20 0.46
POLB P06746 3/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 3/20 0.42
USP2 O75604 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
SCHEMBL1663657 0.85 GAA (0.61) MAPTGAAKDM4ESYKTSHR
SCHEMBL1428472 0.84 MAPT (0.59) MAPTGAAKDM4ETSHRTDP1
SCHEMBL3786692 0.83 GLA (0.53) MAPTGAAKDM4ESYKTSHR
SCHEMBL112468 0.81 MAPT (0.78) MAPTGAAKDM4ETSHRTDP1
SCHEMBL31095359 0.81 MAPT (0.78) MAPTGAAKDM4ETSHRTDP1
SCHEMBL14439923 0.81 SYK (0.50) MAPTGAAKDM4ESYKTSHR
SCHEMBL2227815 0.79 MAPT (0.50) MAPTGAAKDM4ESYKTSHR
SCHEMBL347279 0.79 MAPT (0.63) MAPTGAAKDM4ETSHRTDP1
Hydrochloric Acid SCHEMBL4945295 0.79 MAPT (0.81) MAPTGAAKDM4ETSHRTDP1
SCHEMBL1311327 0.79 TSHR (0.50) MAPTGAAKDM4ETSHRLMNA

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827616-B2 Heterocyclic compounds as pesticides DISCOVERY PURCHASER CORPORATION (US) 2023-11-28 US disclosed
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-09 US disclosed
CN-112218878-A NTCP inhibitors 北京生命科学研究所 2021-01-12 CN disclosed
US-20200407328-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2020-12-31 US disclosed
US-10738016-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-08-11 US disclosed
US-20200062729-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES DISCOVERY PURCHASER CORPORATION 2020-02-27 US disclosed
US-20190055203-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2019-02-21 US disclosed
US-10106507-B2 Potent dual BRD4-kinase inhibitors as cancer therapeutics H. Lee Moffitt Cancer Center and Research Insitute, Inc. (US) 2018-10-23 US disclosed
US-20180290984-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-10-11 US disclosed
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-08-10 US disclosed
WO-2017066428-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2017-04-20 WO disclosed
WO-2017066428-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2017-04-20 WO disclosed
WO-2016022460-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2016-02-11 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 US disclosed
CN-1902201-A Bicyclic pyrimidin-4-(3H)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1 receptor (VR1) MERCK SHARP & DOHME (GB) 2007-01-24 CN disclosed
EP-1687306-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2006-08-09 EP disclosed
WO-2005049613-A1 BICYCLIC PYRIMIDIN-4-(3H)-ONES AND ANALOGUES AND DERIVATIVES THEREOF WHICH MODULATE THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2005-06-02 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-20200407328-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT MAPT 3403/4885GAA 4639/4885KDM4E 115/4885
US-10738016-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT MAPT 3403/4885GAA 4639/4885KDM4E 115/4885
US-20180290984-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT MAPT 3403/4885GAA 4639/4885KDM4E 115/4885
US-10106507-B2 Potent dual BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT MAPT 3059/4885GAA 4168/4885KDM4E 116/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MAPT 3312/4885GAA 1755/4885KDM4E 2606/4885
US-11827616-B2 Heterocyclic compounds as pesticides DDT, CHRM1, ACHE MAPT 4816/4885GAA 3273/4885KDM4E 1052/4885
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 MAPT 4636/4885GAA 4363/4885KDM4E 4401/4885
US-20190055203-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT MAPT 3059/4885GAA 4168/4885KDM4E 116/4885
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT MAPT 3403/4885GAA 4639/4885KDM4E 115/4885
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT MAPT 3059/4885GAA 4168/4885KDM4E 116/4885
US-20200062729-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES CHRM1, DDT, ACHE MAPT 4783/4885GAA 3385/4885KDM4E 1061/4885

“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.