SCHEMBL19220777

SCHEMBL19220777

COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCCCN(C)C

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.67
KIF5B P33176 2/20 0.67
EGFR P00533 8/20 0.67
KDR P35968 15/20 0.64
FLT1 P17948 9/20 0.64
FGFR1 P11362 6/20 0.64
FLT4 P35916 5/20 0.64
EPHB2 P29323 1/20 0.60
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 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
SCHEMBL19220775 0.97 RET (0.64) RETKIF5BEGFRKDRFLT1
SCHEMBL9280 0.91 KDR (0.77) RETKIF5BEGFRKDRFLT1
SCHEMBL17520351 0.90 KDR (0.78) RETKIF5BEGFRKDRFLT1
SCHEMBL19006646 0.90 EGFR (0.66) RETKIF5BEGFRKDRFLT1
SCHEMBL7865988 0.88 KDR (0.80) RETKIF5BEGFRKDRFLT1
SCHEMBL7866068 0.88 KDR (0.80) RETKIF5BEGFRKDRFLT1
SCHEMBL17520325 0.88 KDR (0.77) RETKIF5BEGFRKDRFLT1
Hydrochloric Acid SCHEMBL7867718 0.87 KDR (0.78) RETKIF5BEGFRKDRFLT1
Hydrochloric Acid SCHEMBL7870586 0.87 KDR (0.78) RETKIF5BEGFRKDRFLT1
SCHEMBL19220792 0.85 KDR (0.69) RETKIF5BEGFRKDRFLT1

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 RET 4595/4885KIF5B 1385/4885EGFR 3701/4885

“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.