SCHEMBL19220792

SCHEMBL19220792

COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCCCC(N)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.69
HDAC3 O15379 11/20 0.69
HDAC4 P56524 11/20 0.69
HDAC1 Q13547 11/20 0.69
HDAC7 Q8WUI4 11/20 0.69
HDAC2 Q92769 11/20 0.69
HDAC10 Q969S8 11/20 0.69
HDAC11 Q96DB2 11/20 0.69
HDAC8 Q9BY41 11/20 0.69
HDAC6 Q9UBN7 11/20 0.69
HDAC9 Q9UKV0 11/20 0.69
HDAC5 Q9UQL6 11/20 0.69
FLT1 P17948 6/20 0.62
FGFR1 P11362 5/20 0.62
EGFR P00533 5/20 0.62
FLT4 P35916 4/20 0.62
RET P07949 1/20 0.59
KIF5B P33176 1/20 0.59
ERBB2 P04626 1/20 0.59
EPHB2 P29323 1/20 0.58

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 0.97 HDAC3 (0.69) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL19220774 0.96 HDAC3 (0.70) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL19220794 0.96 KDR (0.64) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL18979086 0.91 KDR (0.74) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL17520358 0.88 KDR (0.73) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL19220779 0.88 HDAC3 (0.73) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL17520354 0.87 KDR (0.71) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL17520330 0.87 KDR (0.74) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL19220783 0.87 HDAC3 (0.67) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL7865988 0.86 KDR (0.80) KDRHDAC3HDAC4HDAC1HDAC7

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 KDR 3669/4885HDAC3 1036/4885HDAC4 933/4885

“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.