SCHEMBL6977622

SCHEMBL6977622

CC(C)=NOC[C@H]1CN(CCO)CCN1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ GRIN2D O15399 2/20 0.30
▸ GRIN3B O60391 2/20 0.30
▸ THRB P10828 2/20 0.30
▸ GRIN1 Q05586 2/20 0.30
▸ GRIN2A Q12879 2/20 0.30
▸ GRIN2B Q13224 2/20 0.30
▸ GRIN2C Q14957 2/20 0.30
▸ GRIN3A Q8TCU5 2/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ RECQL P46063 1/20 0.30

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
SCHEMBL15304777 0.84 — —
SCHEMBL6979558 0.82 — —
SCHEMBL6956289 0.79 — —
SCHEMBL6980224 0.75 CHRNB2 (0.32) —
SCHEMBL1408694 0.74 GRIN2D (0.37) MAPK1GRIN2DGRIN3BTHRBGRIN1
SCHEMBL5051922 0.73 CA1 (0.39) MAPK1GRIN2DGRIN3BTHRBGRIN1
SCHEMBL9975287 0.71 — —
SCHEMBL11203863 0.70 GRIN2D (0.35) MAPK1GRIN2DGRIN3BTHRBGRIN1
SCHEMBL5990400 0.69 GRIN2D (0.34) MAPK1GRIN2DGRIN3BTHRBGRIN1
SCHEMBL1191101 0.69 BIRC2 (0.50) MAPK1GRIN2DGRIN3BTHRBGRIN1

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 LTA4H 4734/4885MAPK1 140/4885GRIN2D 1143/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 LTA4H 4734/4885MAPK1 140/4885GRIN2D 1143/4885

“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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