SCHEMBL4087512

SCHEMBL4087512

C#Cc1cccc(Nc2ncnc3cc(OC4CCN(C(=O)[C@H](C)O)CC4)c(OC)cc23)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.66
GAK O14976 1/20 0.64
ALDH1A1 P00352 1/20 0.64
FBP1 P09467 1/20 0.64
MAPT P10636 1/20 0.64
ERBB2 P04626 5/20 0.62
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 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
SCHEMBL12536553 1.00 EGFR (0.66) EGFRGAKALDH1A1FBP1MAPT
SCHEMBL14489912 0.91 EGFR (0.72) EGFRGAKALDH1A1FBP1MAPT
SCHEMBL29623598 0.91 EGFR (0.69) EGFRGAKALDH1A1FBP1MAPT
SCHEMBL185131 0.91 EGFR (0.69) EGFRGAKALDH1A1FBP1MAPT
SCHEMBL12536562 0.89 EGFR (0.66) EGFRGAKALDH1A1FBP1MAPT
SCHEMBL14205022 0.89 EGFR (0.78) EGFRERBB2
SCHEMBL14205852 0.89 EGFR (0.78) EGFRERBB2
SCHEMBL3433430 0.89 EGFR (0.83) EGFRERBB2
SCHEMBL1943518 0.89 EGFR (0.69) EGFRGAKALDH1A1FBP1MAPT
SCHEMBL12754569 0.89 EGFR (0.67) EGFRGAKALDH1A1FBP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS HENNEQUIN LAURENT FRANCOIS AND 2009-12-17 US disclosed
US-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS HENNEQUIN LAURENT FRANCOIS AND 2009-12-17 US disclosed
US-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS HENNEQUIN LAURENT FRANCOIS AND 2009-12-17 US disclosed
US-7569577-B2 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-08-04 US disclosed
US-7569577-B2 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-08-04 US disclosed
US-7569577-B2 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-08-04 US disclosed
EP-1667991-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-14 EP disclosed
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-22 US disclosed
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-22 US disclosed
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-22 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-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ERBB2, ABL1, EGFR EGFR 3/4885GAK 112/4885ALDH1A1 3811/4885
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ERBB2, ABL1, EGFR EGFR 3/4885GAK 131/4885ALDH1A1 3638/4885

“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.