SCHEMBL6979982

SCHEMBL6979982

CNc1ccc(S(=O)(=O)c2ccc(C)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.52
CA12 O43570 2/20 0.47
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KIT P10721 2/20 0.41
CYP2C9 P11712 1/20 0.41
GAA P10253 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
PKM P14618 1/20 0.40
CA9 Q16790 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 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
SCHEMBL6962820 0.82 NAMPT (0.49) NAMPTCA2CA1ALDH1A1MAPT
SCHEMBL8418962 0.81 CA12 (0.67) CA12CA2CA1ALDH1A1MAPT
SCHEMBL15232696 0.80 HTR6 (0.54) NAMPTALDH1A1MAPTMEN1KMT2A
SCHEMBL15689634 0.79 HTR6 (0.59) NAMPTCA12CA2CA1ALDH1A1
SCHEMBL19681874 0.77 GAA (0.70) CA12CA2CA1ALDH1A1MAPT
SCHEMBL30937277 0.75
SCHEMBL1746357 0.75
SCHEMBL15690970 0.75 KMT2A (0.55) NAMPTCA12CA2CA1KMT2A
SCHEMBL31108989 0.75 ALDH1A1 (0.49) NAMPTCA12CA2CA1ALDH1A1
SCHEMBL15232383 0.75 PSIP1 (0.49) NAMPTCA12CA2CA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 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 (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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 NAMPT 3569/4885CA12 3409/4885CA2 1359/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 NAMPT 3569/4885CA12 3409/4885CA2 1359/4885

“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.