SCHEMBL3318259

SCHEMBL3318259

FC(F)(F)c1ccc(-n2cccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.58
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
PDK2 Q15119 1/20 0.46
DGAT1 O75907 2/20 0.43
SRC P12931 1/20 0.42
BRAF P15056 1/20 0.42
KDR P35968 1/20 0.42
BRS3 P32247 3/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA10 Q9GZZ6 1/20 0.42
CHRNA9 Q9UGM1 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
UBE2N P61088 1/20 0.41
TNIK Q9UKE5 1/20 0.41
KIF11 P52732 1/20 0.41
CASR P41180 1/20 0.40

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
SCHEMBL4341894 0.83 NOTUM (0.78) NOTUMKDM4EALDH1A1MAPK1PDK2
SCHEMBL117343 0.81 NOTUM (0.58) NOTUMKDM4EALDH1A1MAPK1PDK2
SCHEMBL11286034 0.80 NOTUM (0.64) NOTUMALDH1A1PDK2KCNH2MAPT
SCHEMBL30402678 0.80 NOTUM (0.64) NOTUMALDH1A1PDK2KCNH2MAPT
SCHEMBL27777477 0.80 KDM4E (0.57) NOTUMKDM4EALDH1A1MAPK1PDK2
SCHEMBL27933790 0.80 DGAT1 (0.44) DGAT1UBE2NMAPT
SCHEMBL173885 0.79 NOTUM (0.67) NOTUMKDM4EALDH1A1MAPK1PDK2
Hydrochloric Acid SCHEMBL7809916 0.78 NOTUM (0.64) NOTUMKDM4EALDH1A1MAPK1PDK2
SCHEMBL3831001 0.78 NOTUM (0.50) NOTUMKDM4EALDH1A1MAPK1PDK2
SCHEMBL4473412 0.77 NOTUM (0.63) NOTUMKDM4EALDH1A1MAPK1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106029640-B Pyrazolinone compounds and application thereof 泰普斯特医疗公司 2018-08-24 CN claimed
CN-1218472-A Pharmaceutically useful compounds ASTRA PHARMA PROD (GB) 1999-06-02 CN claimed
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN disclosed
CN-116507607-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2023-07-28 CN disclosed
US-20220274970-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-09-01 US disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed
CN-113046772-B Electrochemical synthesis method of 4-selenopyrazole derivative 南华大学 2022-03-04 CN disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 WO disclosed
CN-105612153-B Substituted heterocyclic sulfonamide compound as TRPA1 conditioning agents 豪夫迈·罗氏有限公司 2018-09-14 CN disclosed
CN-106029640-B Pyrazolinone compounds and application thereof 泰普斯特医疗公司 2018-08-24 CN disclosed
EP-2043970-B1 IRON-COPPER CO-CATALYZED PROCESS FOR CARBON-CARBON OR CARBON-HETEROATOM BONDING CENTRE NAT RECH SCIENT (FR) 2018-04-18 EP disclosed
US-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH (US) 2008-10-09 US disclosed
US-7399778-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production containing an azole WYETH (US) 2008-07-15 US disclosed
WO-2008004088-A2 IRON-COPPER CO-CATALYZED PROCESS FOR CARBON-CARBON OR CARBON-HETEROATOM BONDING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-10 WO disclosed
WO-2008004088-A2 IRON-COPPER CO-CATALYZED PROCESS FOR CARBON-CARBON OR CARBON-HETEROATOM BONDING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-10 WO disclosed
US-20070013295-A1 Organic electroluminescent device IDEMITSU KOSAN CO., LTD. (JP) 2007-01-18 US disclosed
US-20070013295-A1 Organic electroluminescent device IDEMITSU KOSAN CO., LTD. (JP) 2007-01-18 US disclosed
EP-1709003-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE Wyeth (US) 2006-10-11 EP disclosed
WO-2005073198-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH (US) 2005-08-11 WO disclosed
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole WYETH (US) 2005-08-04 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 (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-20220274970-A1 INHIBITOR COMPOUNDS SERPINB1, MMP1, SSB NOTUM 2554/4885KDM4E 1551/4885ALDH1A1 1616/4885
US-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE APP, IAPP, PARK7 NOTUM 1652/4885KDM4E 2422/4885ALDH1A1 4118/4885
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole IAPP, APP, CBR3 NOTUM 2155/4885KDM4E 2756/4885ALDH1A1 3920/4885

“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.