SCHEMBL6980307

SCHEMBL6980307

C/C=N/NC(=O)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ NPC1 O15118 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ LMNA P02545 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ GFER P55789 1/20 0.59
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ ATM Q13315 1/20 0.58
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57

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
SCHEMBL9373047 0.85 MAPT (0.64) MAPTKDM4EL3MBTL1NPC1RAB9A
SCHEMBL9373058 0.85 MAPT (0.64) MAPTKDM4EL3MBTL1NPC1RAB9A
SCHEMBL9373051 0.85 MAPT (0.64) MAPTKDM4EL3MBTL1NPC1RAB9A
SCHEMBL9973629 0.83 CTRC (0.59) MAPTKDM4EL3MBTL1NPC1RAB9A
SCHEMBL9369392 0.81 MAPT (0.60) MAPTKDM4EL3MBTL1NPC1RAB9A
SCHEMBL28876262 0.80 KMT2A (0.70) MAPTKDM4EL3MBTL1NPC1RAB9A
SCHEMBL10308975 0.80 KMT2A (0.74) MAPTKDM4EL3MBTL1LMNAALDH1A1
SCHEMBL9975264 0.80 L3MBTL1 (0.62) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL2988285 0.80 L3MBTL1 (0.62) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL2988282 0.80 L3MBTL1 (0.62) MAPTL3MBTL1NPC1RAB9AALDH1A1

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 MAPT 4100/4885KDM4E 2805/4885L3MBTL1 4646/4885

“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.

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