SCHEMBL6957559

SCHEMBL6957559

Cc1cccc(COc2ccc(C(C)C)cc2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.54
PDK2 Q15119 1/20 0.45
MAOB P27338 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
IDO1 P14902 2/20 0.44
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL9946034 0.86 FFAR4 (0.55) MRGPRX4MAOBFFAR4IDO1
SCHEMBL10172543 0.85 NPC1 (0.52) MRGPRX4PDK2NPC1MAPTRAB9A
SCHEMBL13900992 0.85 EGFR (0.53) MRGPRX4MAOBKDM4EGAA
SCHEMBL26162620 0.82 MRGPRX4 (0.68) MRGPRX4MAOBFFAR4IDO1NPC1
SCHEMBL23135657 0.82 MRGPRX4 (0.68) MRGPRX4
SCHEMBL12173115 0.80 MRGPRX4 (0.58) MRGPRX4MAOBFFAR4IDO1NPC1
SCHEMBL26581179 0.80 PDK2 (0.58) MRGPRX4PDK2MAOBIDO1NPC1
SCHEMBL5469652 0.79 NPC1 (0.60) MRGPRX4MAOBIDO1NPC1TP53
SCHEMBL27299216 0.78 SLC6A4 (0.47) PDK2HTTSMN1; SMN2
SCHEMBL12851580 0.78 RXRA (0.57) MRGPRX4

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-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2015-10-08 US disclosed
US-20150274678-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS INC (US) 2015-10-01 US disclosed
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 (3 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 MRGPRX4 952/4885PDK2 1607/4885MAOB 781/4885
US-20150274678-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, HDAC1, HDAC5 MRGPRX4 4030/4885PDK2 593/4885MAOB 551/4885
US-20150284340-A1 QUINAZOLINE BASED EGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY EGFR, ERBB4, HDAC5 MRGPRX4 3775/4885PDK2 610/4885MAOB 523/4885

“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.