SCHEMBL2015042

SCHEMBL2015042

O=C(N=C=S)c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
CTNNB1 P35222 3/20 0.42
WNT3A P56704 3/20 0.42
CNR2 P34972 2/20 0.41
PPIA P62937 1/20 0.40
PTGS1 P23219 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NFKB1 P19838 1/20 0.38

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
SCHEMBL958662 0.84 LMNA (0.51) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL28839956 0.81 ALDH1A1 (0.40) SMN1; SMN2
SCHEMBL29770965 0.81 ALDH1A1 (0.40) SMN1; SMN2
SCHEMBL5558220 0.78 LMNA (0.56) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL3915938 0.78 NPC1 (0.46) LMNAGAA
SCHEMBL5825234 0.77 CES2 (0.52) LMNAGAASMN1; SMN2
SCHEMBL17950539 0.76 KCNK3 (0.43) GAAKCNK3KCNK9
SCHEMBL28634751 0.73 LMNA (0.64) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL746794 0.73 LMNA (0.64) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL3048180 0.73 CES2 (0.52) GAASMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107567439-A The ketone derivatives of 2 homopiperazine, 1 base 4H, 1,3 benzothiazines 4 and the method for preparing the keto hydrochloride of 2 1,3 benzothiazine of (height) piperazine 4 洛桑联邦理工学院 2018-01-09 CN claimed
WO-2011075525-A1 PROCESS FOR PREPARING CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-06-23 WO disclosed
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 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 (2 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA LMNA 1836/4885GAA 2782/4885CTNNB1 3801/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA LMNA 2078/4885GAA 2453/4885CTNNB1 3334/4885

“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.