SCHEMBL6955547

SCHEMBL6955547

CC(C)c1ccc2c(cnn2Cc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.60
NR3C1 P04150 1/20 0.49
ERBB2 P04626 8/20 0.46
EGFR P00533 6/20 0.46
BRD4 O60885 2/20 0.46
SCN9A Q15858 1/20 0.45
MIF P14174 1/20 0.44
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
RGS12 O14924 1/20 0.43
GMNN O75496 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
RAF1 P04049 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL12930771 0.85 RECQL (0.54) RECQLNR3C1ERBB2EGFRBRD4
SCHEMBL12354346 0.84 NPBWR1 (0.57) RECQLBRD4TP53MAPTSMN1; SMN2
SCHEMBL12961129 0.82 NR3C1 (0.52) RECQLNR3C1ERBB2EGFRSCN9A
SCHEMBL6585729 0.81 RECQL (0.66) RECQLERBB2EGFRBRD4SCN9A
SCHEMBL15341863 0.80 HTR2A (0.47) NR3C1MEN1RAB9AKMT2ANPC1
SCHEMBL870390 0.78 RECQL (0.66) RECQLERBB2EGFRBRD4SCN9A
SCHEMBL15341861 0.78 HTR2A (0.44) RECQLNR3C1MEN1RAB9AKMT2A
SCHEMBL1129158 0.78 RECQL (0.66) RECQLERBB2EGFRBRD4SCN9A
SCHEMBL17602113 0.78 RECQL (0.66) RECQLNR3C1ERBB2EGFRBRD4
SCHEMBL6585725 0.78 RECQL (0.66) RECQLNR3C1ERBB2EGFRBRD4

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 RECQL 1997/4885NR3C1 1003/4885ERBB2 1/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 RECQL 1997/4885NR3C1 1003/4885ERBB2 1/4885

“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.