SCHEMBL6976989

SCHEMBL6976989

CNc1ccc(OCc2ccc(C)nc2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.45
ERBB2 P04626 8/20 0.45
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
GRM4 Q14833 1/20 0.40
EPHA2 P29317 1/20 0.40
KDR P35968 1/20 0.40
EPHB4 P54760 1/20 0.40
S1PR4 O95977 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CSF1R P07333 1/20 0.38
KIT P10721 1/20 0.38
RORC P51449 1/20 0.38
PLK1 P53350 1/20 0.38
ENPP2 Q13822 1/20 0.38
MRGPRX4 Q96LA9 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
SCHEMBL9975265 0.86 CSF1R (0.41) EGFRERBB2NPC1POLBRAB9A
SCHEMBL6956922 0.86 EGFR (0.43) EGFRERBB2NPC1POLBRAB9A
SCHEMBL28336000 0.84 CSF1R (0.51) NPC1POLBRAB9AMEN1ALDH1A1
SCHEMBL6978367 0.83 KDR (0.52) EGFRERBB2POLBGRM4EPHA2
SCHEMBL15304829 0.81 MRGPRX4 (0.44) NPC1POLBRAB9AS1PR4MEN1
SCHEMBL6978325 0.79 ERBB2 (0.48) EGFRERBB2POLBGRM4EPHA2
SCHEMBL22793766 0.79 PPARA (0.51) EGFRERBB2NPC1RAB9AMEN1
SCHEMBL9975338 0.79 ACP1 (0.55) EGFRERBB2NPC1RAB9AGRM4
SCHEMBL9644707 0.77 HTR2A (0.42) NPC1POLBRAB9AS1PR4MEN1
SCHEMBL9644510 0.74 PPARA (0.41) EGFRERBB2NPC1POLBRAB9A

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 2 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-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 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 (1 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-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 EGFR 2/4885ERBB2 1/4885NPC1 4298/4885

“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.