SCHEMBL18978997

SCHEMBL18978997

COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCO

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.89
ERBB2 P04626 6/20 0.79
KDR P35968 2/20 0.79
AURKA O14965 1/20 0.79
INSR P06213 1/20 0.79
FBP1 P09467 1/20 0.79
PDGFRB P09619 1/20 0.79
FLT4 P35916 1/20 0.79
CLK1 P49759 1/20 0.79
EPHB4 P54760 1/20 0.79
TEK Q02763 1/20 0.79
AURKB Q96GD4 1/20 0.79
HDAC3 O15379 4/20 0.77
HDAC4 P56524 4/20 0.77
HDAC1 Q13547 4/20 0.77
HDAC7 Q8WUI4 4/20 0.77
HDAC2 Q92769 4/20 0.77
HDAC10 Q969S8 4/20 0.77
HDAC11 Q96DB2 4/20 0.77
HDAC8 Q9BY41 4/20 0.77

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
SCHEMBL4343029 0.99 EGFR (0.87) EGFRERBB2KDRAURKAINSR
SCHEMBL1730545 0.94 EGFR (1.00) EGFRERBB2KDRAURKAINSR
SCHEMBL13529196 0.92 EGFR (0.98) EGFRERBB2KDRAURKAINSR
SCHEMBL30207668 0.91 EGFR (0.85) EGFRERBB2KDRAURKAINSR
SCHEMBL14964773 0.91 EGFR (0.85) EGFRERBB2KDRAURKAINSR
SCHEMBL31491085 0.91 EGFR (0.85) EGFRERBB2KDRAURKAINSR
SCHEMBL14092460 0.91 EGFR (0.92) EGFRERBB2KDRAURKAINSR
SCHEMBL28520911 0.91 EGFR (0.85) EGFRERBB2KDRAURKAINSR
SCHEMBL31213839 0.90 EGFR (0.84) EGFRERBB2KDRAURKAINSR
SCHEMBL5911655 0.90 EGFR (0.86) EGFRERBB2KDRAURKAINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181554-B1 QUINAZOLINE DERIVATIVE CSPC ZHONGQI PHARMACEUTICAL TECH SHIJIAZHUANG CO LTD (CN) 2020-10-28 EP disclosed
US-10774079-B2 Quinazoline derivative CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2020-09-15 US disclosed
CN-106660970-B Quinazoline derivatives 石药集团中奇制药技术(石家庄)有限公司 2020-07-10 CN disclosed
US-10421754-B2 Quinazoline derivative CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2019-09-24 US disclosed
US-20170226099-A1 QUINAZOLINE DERIVATIVE CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2017-08-10 US disclosed
EP-3181554-A1 QUINAZOLINE DERIVATIVE CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2017-06-21 EP 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 (3 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-10774079-B2 Quinazoline derivative H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A, TOP1 EGFR 3701/4885ERBB2 2622/4885KDR 3669/4885
US-10421754-B2 Quinazoline derivative H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A, TOP1 EGFR 3701/4885ERBB2 2622/4885KDR 3669/4885
US-20170226099-A1 QUINAZOLINE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A, TOP1 EGFR 3701/4885ERBB2 2622/4885KDR 3669/4885

“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.