SCHEMBL3949902

SCHEMBL3949902

C[CH]C(F)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
TSHR P16473 1/20 0.38
TAAR1 Q96RJ0 3/20 0.36
HTR2A P28223 2/20 0.36
LMNA P02545 2/20 0.36
HRH1 P35367 1/20 0.36
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
CYP2D6 P10635 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL7621141 0.80 MEN1 (0.37) DPP4F2TSHRTAAR1HTR2A
SCHEMBL16924879 0.76 DPP4 (0.39) DPP4F2TSHRTAAR1HTR2A
SCHEMBL11782888 0.74 DPP4 (0.38) DPP4F2TSHRTAAR1HTR2A
SCHEMBL20765676 0.74 CYP2D6 (0.44) DPP4F2TSHRLMNACYP2D6
SCHEMBL28845872 0.74 DPP4 (0.38) DPP4F2TSHRTAAR1HTR2A
SCHEMBL874358 0.74 CYP2D6 (0.44) DPP4F2TSHRLMNACYP2D6
SCHEMBL3322544 0.74 TSHR (0.38) DPP4F2TSHRTAAR1HTR2A
SCHEMBL11783704 0.73 MIF (0.33) DPP4F2TSHRTAAR1HTR2A
SCHEMBL11783699 0.73 MIF (0.33) DPP4F2TSHRTAAR1HTR2A
SCHEMBL4660604 0.72 DPP4 (0.41) DPP4F2TSHRTAAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
CN-107337659-A Compounds as protein kinase modulators 理森制药股份公司 2017-11-10 CN disclosed
CN-103702989-B Novel compounds as modulators of protein kinases 理森制药股份公司 2017-07-07 CN disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
EP-1282610-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THE USE THEREOF IN MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2007-07-25 EP disclosed
US-6914059-B2 Benzoxazine and benzothiazine derivatives and the use thereof in medicaments SCHERING AG (DE) 2005-07-05 US disclosed
US-20040006075-A1 Benzoxazine and benzothiazine derivatives and the use thereof in medicaments SCHERING AG (DE) 2004-01-08 US disclosed
EP-1282610-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THE USE THEREOF IN MEDICAMENTS Schering Aktiengesellschaft (DE) 2003-02-12 EP disclosed
WO-2001081323-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THE USE THEREOF IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2001-11-01 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 (1 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-20040006075-A1 Benzoxazine and benzothiazine derivatives and the use thereof in medicaments CYP4Z1, XDH, CYP3A5 DPP4 509/4885F2 789/4885TSHR 3283/4885

“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.