SCHEMBL3775396

SCHEMBL3775396

CC(C)(C)[S+]([O-])/N=C\c1ccc(F)cn1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.31
KCNH2 Q12809 1/20 0.31
GPR3 P46089 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL347791 1.00 HTR2A (0.31) HTR2AKCNH2GPR3NFE2L2
SCHEMBL3775400 1.00 HTR2A (0.31) HTR2AKCNH2GPR3NFE2L2
SCHEMBL347790 1.00 HTR2A (0.31) HTR2AKCNH2GPR3NFE2L2
SCHEMBL30962424 1.00 HTR2A (0.31) HTR2AKCNH2GPR3NFE2L2
SCHEMBL17819857 0.83 CCR1 (0.34) GPR3
SCHEMBL17819852 0.83 CCR1 (0.34) GPR3
SCHEMBL17819854 0.83 CCR1 (0.34) GPR3
SCHEMBL17820395 0.83 CCR1 (0.34) GPR3
SCHEMBL17820393 0.83 CCR1 (0.34) GPR3
SCHEMBL17819848 0.83 CCR1 (0.34) GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011545-A1 Chemical Compounds - 759 ASTRAZENECA AB (SE) 2015-01-08 US disclosed
US-20140155394-A1 Chemical Compounds - 759 ASTRAZENECA AB (SE) 2014-06-05 US disclosed
US-8486966-B2 9-(pyrazol-3-yl)-9H-purine-2-amine and 3-(pyrazol-3-yl) -3H-imidazo[4,5-B] pyridin-5-amine derivatives and their use for the treatment of cancer ASTRAZENECA AB (SE) 2013-07-16 US disclosed
US-20100324040-A1 9-(PYRAZOL-3-YL)-9H-PURINE-2-AMINE AND 3-(PYRAZOL-3-YL) -3H-IMIDAZO[4,5-B] PYRIDIN-5- AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB 2010-12-23 US disclosed
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 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-20150011545-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L HTR2A 4565/4885KCNH2 3216/4885GPR3 3185/4885
US-20140155394-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L HTR2A 4565/4885KCNH2 3216/4885GPR3 3185/4885
US-20100324040-A1 9-(PYRAZOL-3-YL)-9H-PURINE-2-AMINE AND 3-(PYRAZOL-3-YL) -3H-IMIDAZO[4,5-B] PYRIDIN-5- AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER THPO, MPL, MCL1 HTR2A 1323/4885KCNH2 1842/4885GPR3 885/4885

“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.