SCHEMBL19220774

SCHEMBL19220774

COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCCCCCC(N)=O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 19/20 0.70
HDAC4 P56524 19/20 0.70
HDAC1 Q13547 19/20 0.70
HDAC7 Q8WUI4 19/20 0.70
HDAC2 Q92769 19/20 0.70
HDAC10 Q969S8 19/20 0.70
HDAC11 Q96DB2 19/20 0.70
HDAC8 Q9BY41 19/20 0.70
HDAC6 Q9UBN7 19/20 0.70
HDAC9 Q9UKV0 19/20 0.70
HDAC5 Q9UQL6 19/20 0.70
KDR P35968 14/20 0.70
EGFR P00533 4/20 0.60
FGFR1 P11362 1/20 0.60
FLT1 P17948 1/20 0.60
FLT4 P35916 1/20 0.60
ERBB2 P04626 3/20 0.60

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
SCHEMBL19220786 0.99 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19220792 0.96 KDR (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19220794 0.95 KDR (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19220779 0.91 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17520354 0.91 KDR (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19220783 0.91 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17520358 0.90 KDR (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18979086 0.87 KDR (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17520330 0.85 KDR (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7865988 0.85 KDR (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2

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.