SCHEMBL19220797

SCHEMBL19220797

COc1cc2c(Nc3ccc(F)c(C)c3)ncnc2cc1OCCCCC(N)=O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 16/20 0.69
HDAC4 P56524 16/20 0.69
HDAC1 Q13547 16/20 0.69
HDAC7 Q8WUI4 16/20 0.69
HDAC2 Q92769 16/20 0.69
HDAC10 Q969S8 16/20 0.69
HDAC11 Q96DB2 16/20 0.69
HDAC8 Q9BY41 16/20 0.69
HDAC6 Q9UBN7 16/20 0.69
HDAC9 Q9UKV0 16/20 0.69
HDAC5 Q9UQL6 16/20 0.69
EGFR P00533 9/20 0.69
ERBB2 P04626 8/20 0.69
KDR P35968 11/20 0.68

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
SCHEMBL19220795 0.99 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17520331 0.90 EGFR (0.84) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13883015 0.89 EGFR (0.84) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18979076 0.89 EGFR (0.84) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25707230 0.88 RET (0.68) EGFRERBB2KDR
SCHEMBL14066712 0.87 HDAC3 (0.82) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19220791 0.85 EGFR (0.77) EGFRKDR
SCHEMBL8211781 0.84 HDAC3 (0.83) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19006946 0.84 EGFR (0.81) EGFRERBB2KDR
SCHEMBL16760603 0.84 RET (0.82) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226099-A1 QUINAZOLINE DERIVATIVE CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2017-08-10 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-20170226099-A1 QUINAZOLINE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A, TOP1 HDAC3 1036/4885HDAC4 933/4885HDAC1 1112/4885

“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.