SCHEMBL9943575

SCHEMBL9943575

FC(F)(F)c1ccnc(Nc2ccc3c(OCCN4CCOCC4)ccc(Cl)c3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.44
TSHR P16473 1/20 0.44
KMO O15229 2/20 0.42
NTRK1 P04629 1/20 0.41
HTR2A P28223 3/20 0.41
MAP3K12 Q12852 3/20 0.41
SYK P43405 2/20 0.41
HTR2C P28335 1/20 0.41
NPC1 O15118 1/20 0.40
KCNH2 Q12809 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
BRAF P15056 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
SLC6A2 P23975 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PDE4D Q08499 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
SCHEMBL9937979 0.91 NTRK1 (0.42) TSHRNTRK1HTR2AMAP3K12SYK
SCHEMBL29498289 0.87 NTRK1 (0.47) NTRK1MAP3K12KCNH2ALDH1A1KDM4E
SCHEMBL17434804 0.87 NTRK1 (0.47) NTRK1MAP3K12KCNH2ALDH1A1KDM4E
SCHEMBL23011698 0.85 ABL1 (0.48) MAP3K12SYKNPC1ALDH1A1KDM4E
SCHEMBL22137746 0.84 MAP3K12 (0.43) MAP3K12SYK
SCHEMBL22135628 0.84 MAP3K12 (0.39) NTRK1MAP3K12SYK
SCHEMBL17434611 0.83 KDM4E (0.45) MAPK14HTR2AMAP3K12SYKNPC1
SCHEMBL17453658 0.81 KDM4E (0.45) HTR2AMAP3K12SYKHTR2CALDH1A1
SCHEMBL29498291 0.80 TSHR (0.41) MAPK14TSHRKMOHTR2AHTR2C
SCHEMBL17434786 0.80 TSHR (0.41) MAPK14TSHRKMOHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651416-B1 COMPOUNDS USEFUL FOR TREATING AIDS ABIVAX (FR) 2018-05-09 EP claimed
US-9061999-B2 Compounds useful for treating AIDS ABIVAX (FR) 2015-06-23 US claimed
US-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2013-10-10 US claimed
EP-2465502-A1 Compounds useful for treating AIDS Société Splicos (FR) 2012-06-20 EP claimed
WO-2023139233-A1 COMBINATION OF 8-CHLORO-N-(4-(TRIFLUOROMETHOXY)PHENYL)QUINOLIN-2-AMINE AND ITS DERIVATIVES WITH A JAK INHIBITOR ABIVAX (FR) 2023-07-27 WO disclosed
EP-4215196-A1 COMBINATION OF 8-CHLORO-N-(4-(TRIFLUOROMETHOXY)PHENYL)QUINOLIN-2-AMINE AND ITS DERIVATIVES WITH A JAK INHIBITOR ABIVAX (FR) 2023-07-26 EP disclosed
WO-2023135207-A1 COMBINATION OF 8-CHLORO-N-(4-(TRIFLUOROMETHOXY)PHENYL)QUINOLIN-2-AMINE AND ITS DERIVATIVES WITH A S1P RECEPTOR MODULATOR ABIVAX (FR) 2023-07-20 WO disclosed
EP-4212156-A1 COMBINATION OF 8-CHLORO-N-(4-(TRIFLUOROMETHOXY)PHENYL)QUINOLIN-2-AMINE AND ITS DERIVATIVES WITH A S1P RECEPTOR MODULATOR ABIVAX (FR) 2023-07-19 EP disclosed
US-11649210-B2 Use of quinoline derivatives for the treatment of inflammatory diseases ABIVAX (FR) 2023-05-16 US disclosed
US-11649210-B2 Use of quinoline derivatives for the treatment of inflammatory diseases ABIVAX (FR) 2023-05-16 US disclosed
US-11649211-B2 Use of quinoline derivatives for the treatment of inflammatory diseases ABIVAX (FR) 2023-05-16 US disclosed
US-11649211-B2 Use of quinoline derivatives for the treatment of inflammatory diseases ABIVAX (FR) 2023-05-16 US disclosed
US-9061999-B2 Compounds useful for treating AIDS ABIVAX (FR) 2015-06-23 US disclosed
US-9061999-B2 Compounds useful for treating AIDS ABIVAX (FR) 2015-06-23 US disclosed
US-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2013-10-10 US disclosed
US-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2013-10-10 US disclosed
US-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2013-10-10 US disclosed
WO-2012080953-A1 COMPOUNDS USEFUL FOR TREATING AIDS SPLICOS (FR) 2012-06-21 WO disclosed
EP-2465502-A1 Compounds useful for treating AIDS Société Splicos (FR) 2012-06-20 EP disclosed
EP-2465502-A1 Compounds useful for treating AIDS Société Splicos (FR) 2012-06-20 EP 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-20130267703-A1 COMPOUNDS USEFUL FOR TREATING AIDS CBR3, CBR1, CCR10 MAPK14 3652/4885TSHR 2295/4885KMO 2096/4885
US-11649210-B2 Use of quinoline derivatives for the treatment of inflammatory diseases NR1H4, NR1I3, NR1H3 MAPK14 2943/4885TSHR 2860/4885KMO 455/4885
US-11649211-B2 Use of quinoline derivatives for the treatment of inflammatory diseases NR1H4, NR1I3, NR1H3 MAPK14 2943/4885TSHR 2860/4885KMO 455/4885

“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.