SCHEMBL19220779

SCHEMBL19220779

CNC(=O)CCCCCOc1cc2ncnc(Nc3ccc(C)cc3F)c2cc1OC

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 20/20 0.73
HDAC4 P56524 20/20 0.73
HDAC1 Q13547 20/20 0.73
HDAC7 Q8WUI4 20/20 0.73
HDAC2 Q92769 20/20 0.73
HDAC10 Q969S8 20/20 0.73
HDAC11 Q96DB2 20/20 0.73
HDAC8 Q9BY41 20/20 0.73
HDAC6 Q9UBN7 20/20 0.73
HDAC9 Q9UKV0 20/20 0.73
HDAC5 Q9UQL6 20/20 0.73
KDR P35968 14/20 0.73
EGFR P00533 3/20 0.62
ERBB2 P04626 3/20 0.62

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
SCHEMBL17520353 0.91 KDR (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19220774 0.91 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19220786 0.90 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19220783 0.89 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19220792 0.88 KDR (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19220794 0.86 KDR (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7865988 0.83 KDR (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7866068 0.83 KDR (0.80) KDREGFR
SCHEMBL19220775 0.83 RET (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL7867718 0.82 KDR (0.78) KDREGFR

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.