SCHEMBL14927264

SCHEMBL14927264

Cc1cc(C)nc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.57
HSP90AB1 P08238 1/20 0.57
NOS3 P29474 2/20 0.44
NOS2 P35228 2/20 0.44
NOS1 P29475 1/20 0.44
KMT2A Q03164 2/20 0.41
ATM Q13315 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
MAPT P10636 1/20 0.41
PHGDH O43175 1/20 0.39
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SDHB P21912 1/20 0.38
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37

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
SCHEMBL10271821 0.87 HSP90AA1 (0.52) HSP90AA1HSP90AB1KMT2AATMKDM4E
SCHEMBL21928846 0.82 HSP90AA1 (0.46) HSP90AA1HSP90AB1NOS3NOS2NOS1
SCHEMBL14387653 0.79 HSP90AA1 (0.45) HSP90AA1HSP90AB1KMT2AATMKDM4E
SCHEMBL21731003 0.79 HSP90AA1 (0.55) HSP90AA1HSP90AB1KMT2AATMKDM4E
SCHEMBL15726902 0.79 HSP90AA1 (0.45) HSP90AA1HSP90AB1ATMKDM4EHSD17B10
SCHEMBL10271822 0.79 HSP90AA1 (0.55) HSP90AA1HSP90AB1KMT2AATMKDM4E
SCHEMBL16579591 0.79 HSP90AA1 (0.55) HSP90AA1HSP90AB1KMT2AATMKDM4E
SCHEMBL12871593 0.78 NOS3 (0.46) HSP90AA1HSP90AB1NOS3NOS2NOS1
SCHEMBL21212748 0.77 HSP90AA1 (0.44) HSP90AA1HSP90AB1KMT2AATMKDM4E
SCHEMBL18299043 0.77 HSP90AA1 (0.64) HSP90AA1HSP90AB1NOS3NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024033322-A1 METAL COMPLEX, SEMICONDUCTOR LAYER COMPRISING A METAL COMPLEX AND ORGANIC ELECTRONIC DEVICE NOVALED GMBH (DE) 2024-02-15 WO disclosed
WO-2023072273-A1 POLYCYCLIC COMPOUND AS CBL-B INHIBITOR 先声再明医药有限公司 2023-05-04 WO disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
EP-3686199-B9 FUSED RING DERIVATIVE AS A2A RECEPTOR INHIBITOR CSTONE PHARMACEUTICALS SUZHOU CO LTD (CN) 2022-12-07 EP disclosed
EP-3611174-B1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC (CN) 2022-06-08 EP disclosed
US-11312715-B2 Fused ring derivative as A2A receptor inhibitor CSTONE PHARMACEUTICALS (SUZHOU) CO., LTD. (CN) 2022-04-26 US disclosed
WO-2022012409-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2022-01-20 WO disclosed
US-11117899-B2 [1,2,4]triazolo[1,5-c]pyrimidine derivative as A2A receptor inhibitor MEDSHINE DISCOVERY INC. (CN) 2021-09-14 US disclosed
US-11066411-B2 2021-07-20 US disclosed
US-20200239465-A1 FUSED RING DERIVATIVE AS A2A RECEPTOR INHIBITOR CSTONE PHARMACEUTICALS (SHANGHAI) CO., LTD. (CN) 2020-07-30 US disclosed
WO-2016079711-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
WO-2016079710-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
US-20160024040-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC 2016-01-28 US disclosed
US-9149527-B2 Furanyl compounds and the use thereof NOVOMEDIX, LLC (US) 2015-10-06 US disclosed
WO-2015037680-A1 HETEROCYCLIC AMIDE COMPOUND AND HERBICIDE 日産化学工業株式会社 (JP) 2015-03-19 WO disclosed
US-20140309297-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2014-10-16 US disclosed
US-8722731-B2 Furanyl compounds and the use thereof NOVOMEDIX, LLC (US) 2014-05-13 US disclosed
US-20130140539-A1 HOST MATERIAL AND ORGANIC LIGHT EMITTING DISPLAY DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2013-06-06 US disclosed
US-20130116317-A1 FURANYL COMPOUNDS AND THE USE THEREOF NOVOMEDIX, LLC (US) 2013-05-09 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 (7 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-11312715-B2 Fused ring derivative as A2A receptor inhibitor ADORA2A, ADORA2B, ADORA1 HSP90AA1 3780/4885HSP90AB1 3681/4885NOS3 2625/4885
US-20130116317-A1 FURANYL COMPOUNDS AND THE USE THEREOF EIF4EBP1, EIF4E, EIF4A1 HSP90AA1 1066/4885HSP90AB1 947/4885NOS3 3093/4885
US-11117899-B2 [1,2,4]triazolo[1,5-c]pyrimidine derivative as A2A receptor inhibitor ADORA2A, ADORA1, ADORA3 HSP90AA1 4395/4885HSP90AB1 4394/4885NOS3 2162/4885
US-20200239465-A1 FUSED RING DERIVATIVE AS A2A RECEPTOR INHIBITOR ADORA2A, ADORA2B, ADORA1 HSP90AA1 3780/4885HSP90AB1 3681/4885NOS3 2625/4885
US-11066411-B2 ADORA2A, ADORA1, ADORA2B HSP90AA1 4106/4885HSP90AB1 4149/4885NOS3 2128/4885
US-20160024040-A1 FURANYL COMPOUNDS AND THE USE THEREOF EIF4EBP1, EIF4E, GLI1 HSP90AA1 1262/4885HSP90AB1 1167/4885NOS3 3105/4885
US-20140309297-A1 FURANYL COMPOUNDS AND THE USE THEREOF EIF4EBP1, EIF4E, GLI1 HSP90AA1 1262/4885HSP90AB1 1167/4885NOS3 3105/4885

“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.