SCHEMBL6959496

SCHEMBL6959496

CC#C/C(=N\OC[C@@H]1CCCN1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CHRNB4 P30926 6/20 0.33
▸ CHRNA3 P32297 6/20 0.33
▸ CHRNB2 P17787 2/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ CHRNA5 P30532 1/20 0.32
▸ IRAK4 Q9NWZ3 2/20 0.31

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
SCHEMBL6955594 1.00 CCNE1 (0.35) CCNE1CDK2CDK1CCNB1CHRNB4
SCHEMBL19121074 1.00 CCNE1 (0.35) CCNE1CDK2CDK1CCNB1CHRNB4
SCHEMBL9973611 0.82 LTA4H (0.31) —
SCHEMBL9973610 0.82 LTA4H (0.31) —
SCHEMBL14878202 0.81 CHRNB4 (0.35) CCNE1CDK2CDK1CCNB1CHRNB4
SCHEMBL6956713 0.80 IRAK4 (0.34) IRAK4
SCHEMBL12202912 0.80 CHRNB4 (0.35) CCNE1CDK2CDK1CCNB1CHRNB4
SCHEMBL6960513 0.79 — —
SCHEMBL6958880 0.78 CHRNB4 (0.37) CCNE1CDK2CDK1CCNB1CHRNB4
SCHEMBL6959571 0.75 CHRNB4 (0.37) CCNE1CDK2CDK1CCNB1CHRNB4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951051-B2 Process for producing alkynylketone derivative SHIONOGI & CO., LTD. (JP) 2018-04-24 — — US disclosed
US-20170197943-A1 PROCESS FOR PRODUCING ALKYNYLKETONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-13 — — US disclosed
US-8426589-B2 Process for production of quinazoline derivative SHIONOGI & CO., LTD. (JP) 2013-04-23 — — US disclosed
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-20110257391-A1 PROCESS FOR PRODUCTION OF QUINAZOLINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2011-10-20 — — 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 (4 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-20110257391-A1 PROCESS FOR PRODUCTION OF QUINAZOLINE DERIVATIVE ABL1, MAP2K5, MAP2K2 CCNE1 573/4885CDK2 65/4885CDK1 143/4885
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 CCNE1 631/4885CDK2 198/4885CDK1 392/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 CCNE1 631/4885CDK2 198/4885CDK1 392/4885
US-20170197943-A1 PROCESS FOR PRODUCING ALKYNYLKETONE DERIVATIVE PDK4, PDK3, PDK2 CCNE1 1391/4885CDK2 415/4885CDK1 453/4885

“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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