SCHEMBL3286845

SCHEMBL3286845

N#Cc1ccccc1Nc1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.45
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
GAA P10253 2/20 0.42
CXCL8 P10145 1/20 0.42
AURKA O14965 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
MAPK10 P53779 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL395135 0.87 KDM4E (0.55) KDM4ETSHRHPGDHSD17B10LMNA
SCHEMBL30804597 0.87 KDM4E (0.55) KDM4ETSHRHPGDHSD17B10LMNA
SCHEMBL30804592 0.87 KDM4E (0.55) KDM4ETSHRHPGDHSD17B10LMNA
SCHEMBL396120 0.80 CXCL8 (0.55) KDM4EHPGDGAACXCL8AURKA
SCHEMBL29793294 0.80 CXCL8 (0.55) KDM4EHPGDGAACXCL8AURKA
SCHEMBL16481316 0.77 LMNA (0.62) KDM4ETSHRHPGDHSD17B10LMNA
SCHEMBL22551191 0.77 TAS2R14 (0.46) KDM4EHPGDLMNAGAAMAPK10
SCHEMBL22497632 0.76 KDM4E (0.50) KDM4ETSHRHPGDHSD17B10LMNA
SCHEMBL11668949 0.76 TSHR (0.59) KDM4ETSHRHPGDHSD17B10LMNA
SCHEMBL29381642 0.76 KDM4E (0.46) KDM4ETSHRHPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186554-B2 Non-fused tricyclic compounds VIVACE THERAPEUTICS, INC. (US) 2021-11-30 US disclosed
US-11186554-B2 Non-fused tricyclic compounds VIVACE THERAPEUTICS, INC. (US) 2021-11-30 US disclosed
CN-111132673-A Non-fused tricyclic compounds 维瓦斯治疗公司 2020-05-08 CN disclosed
EP-3618818-A1 NON-FUSED TRICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-03-11 EP disclosed
US-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2020-02-27 US disclosed
US-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2020-02-27 US disclosed
WO-2018204532-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2018-11-08 WO disclosed
WO-2014058232-A2 SPIRO-TYPE ORGANIC MATERIAL, AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 대주전자재료 주식회사 (KR) 2014-04-17 WO disclosed
US-7718652-B2 Substituted benzothiadiazinedioxide derivatives and methods of their use WYETH LLC (US) 2010-05-18 US disclosed
EP-2155659-A1 SUBSTITUTED PHENYLAMINO-BENZENE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH MITOGEN EXTRACELLULAR KINASE ACTIVITY Bayer Schering Pharma Aktiengesellschaft (DE) 2010-02-24 EP disclosed
WO-2008138639-A1 SUBSTITUTED PHENYLAMINO-BENZENE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH MITOGEN EXTRACELLULAR KINASE ACTIVITY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-20 WO disclosed
US-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
WO-2008073958-A2 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 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 (3 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-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS YAP1, MYC, TEAD2 KDM4E 1536/4885TSHR 2644/4885HPGD 1367/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 KDM4E 1536/4885TSHR 2644/4885HPGD 1367/4885
US-20080161295-A1 SUBSTITUTED BENZOTHIADIAZINEDIOXIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A2, SLC6A4, DBH KDM4E 3315/4885TSHR 3531/4885HPGD 584/4885

“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.