SCHEMBL6962820

SCHEMBL6962820

Cc1ccc(S(=O)(=O)c2ccc(NC(C)C)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.49
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KIT P10721 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP2C9 P11712 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
KDR P35968 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
SCHEMBL14509390 0.83 ALDH1A1 (0.53) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL6979982 0.82 NAMPT (0.52) NAMPTALDH1A1MAPTKDM4EGAA
SCHEMBL12697206 0.77 TDP1 (0.43) ALDH1A1MAPTLMNASLC22A12
SCHEMBL15232696 0.76 HTR6 (0.54) NAMPTALDH1A1MAPTKDM4EGAA
SCHEMBL6956931 0.76 TDP1 (0.59) NAMPTALDH1A1MAPTLMNAKDM4E
SCHEMBL15689634 0.75 HTR6 (0.59) NAMPTALDH1A1MAPTLMNAGAA
SCHEMBL18268217 0.75 ALDH1A1 (0.46) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL13956958 0.73 KMT2A (0.45) NAMPTALDH1A1LMNAMEN1KMT2A
SCHEMBL20697872 0.71 ALDH1A1 (0.63) NAMPTALDH1A1MAPTLMNAKDM4E
SCHEMBL31108989 0.71 ALDH1A1 (0.49) NAMPTALDH1A1KDM4ECA1CA2

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 3569/4885ALDH1A1 4593/4885MAPT 4100/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 NAMPT 3569/4885ALDH1A1 4593/4885MAPT 4100/4885

“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.