SCHEMBL6978367

SCHEMBL6978367

CNc1ccc(OCc2cccnc2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.52
FLT1 P17948 1/20 0.52
EPHA2 P29317 1/20 0.52
EPHB4 P54760 1/20 0.52
EGFR P00533 6/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
ERBB2 P04626 4/20 0.47
SLC6A4 P31645 1/20 0.47
GRM4 Q14833 1/20 0.47
MRGPRX1 Q96LB2 1/20 0.46
PTK6 Q13882 1/20 0.46
GFER P55789 1/20 0.46
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
LRRK2 Q5S007 1/20 0.45

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
SCHEMBL6961336 0.86 KDR (0.49) KDRFLT1EPHA2EPHB4EGFR
SCHEMBL13814708 0.85 ALDH1A1 (0.47) KDRFLT1EPHA2EPHB4LMNA
SCHEMBL6978325 0.83 ERBB2 (0.48) KDREPHA2EGFRLMNAMEN1
SCHEMBL9975338 0.83 ACP1 (0.55) EGFRMEN1MAPTKMT2AERBB2
SCHEMBL6976989 0.83 EGFR (0.45) KDREPHA2EPHB4EGFRMEN1
SCHEMBL17858634 0.82 MRGPRX4 (0.55) KDRFLT1EPHA2EPHB4LMNA
SCHEMBL4422123 0.80 CYP19A1 (0.55) KDRFLT1EPHA2EPHB4EGFR
SCHEMBL27299216 0.79 SLC6A4 (0.47) LMNAHTTALDH1A1KMT2ASLC6A4
SCHEMBL19728971 0.79 RXRA (0.55) LMNAHTTSLC6A4GFERHTR1A
SCHEMBL21340438 0.77 MAPK1 (0.56) HTTMEN1ALDH1A1KMT2APOLB

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 KDR 85/4885FLT1 216/4885EPHA2 488/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 KDR 85/4885FLT1 216/4885EPHA2 488/4885

“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.