SCHEMBL7455454

SCHEMBL7455454

COc1cc2c(Nc3ccc(C)c(O)c3)ncnc2cc1OCc1ccccn1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.79
ERBB2 P04626 2/20 0.79
KDR P35968 9/20 0.77
RET P07949 8/20 0.77
KIF5B P33176 6/20 0.77
RIPK2 O43353 2/20 0.60
NOD1 Q9Y239 2/20 0.60
BRAF P15056 2/20 0.60
JAK3 P52333 2/20 0.60
GAK O14976 1/20 0.60
STK10 O94804 1/20 0.60
FLT3 P36888 1/20 0.60
AAK1 Q2M2I8 1/20 0.60
Q6ZSR9 Q6ZSR9 1/20 0.60
SLK Q9H2G2 1/20 0.60
IRAK4 Q9NWZ3 1/20 0.60
RPS6KA6 Q9UK32 1/20 0.60
ALK Q9UM73 1/20 0.60
FGFR1 P11362 2/20 0.60
FLT1 P17948 2/20 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
Hydrochloric Acid SCHEMBL7455938 0.99 EGFR (0.77) EGFRERBB2KDRRETKIF5B
SCHEMBL8707744 0.94 EGFR (0.70) EGFRERBB2KDRRETKIF5B
SCHEMBL7448009 0.89 KDR (0.77) EGFRERBB2KDRRETKIF5B
SCHEMBL7864670 0.88 KDR (0.80) EGFRERBB2KDRRETKIF5B
SCHEMBL8306859 0.88 EGFR (1.00) EGFRERBB2KDRRETKIF5B
SCHEMBL5651286 0.88 KDR (1.00) EGFRKDRRETKIF5BRIPK2
Hydrochloric Acid SCHEMBL8309362 0.87 EGFR (0.98) EGFRERBB2KDRRETKIF5B
Hydrochloric Acid SCHEMBL7859467 0.87 KDR (0.98) EGFRKDRRETKIF5BRIPK2
SCHEMBL8307018 0.86 EGFR (0.85) EGFRERBB2KDRRETKIF5B
SCHEMBL8309982 0.86 EGFR (0.85) EGFRERBB2KDRRETKIF5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020032208-A1 Chemical compounds ZENECA LIMITED 2002-03-14 US claimed
EP-0873319-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-07-25 EP claimed
US-5962458-A ANGIOGENESIS INHIBITORS, ANTICANCER AGENTS, ANTIDIABETIC AGENTS, SKIN DISORDERS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, VISION DEFECTS ZENECA LIMITED (GB) 1999-10-05 US claimed
US-6362336-B1 ADMINISTERING A QUINAZOLINE DERIVATIVE TO A WARM-BLOODED ANIMAL FOR PRODUCING AN ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY REDUCING EFFECT ZENECA LIMITED (GB) 2002-03-26 US disclosed
US-20020032208-A1 Chemical compounds ZENECA LIMITED 2002-03-14 US disclosed
US-6258951-B1 ANTICANCER, ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 2001-07-10 US disclosed
US-6071921-A Chemical compounds ZENECA LIMITED (GB) 2000-06-06 US disclosed
US-5962458-A ANGIOGENESIS INHIBITORS, ANTICANCER AGENTS, ANTIDIABETIC AGENTS, SKIN DISORDERS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, VISION DEFECTS ZENECA LIMITED (GB) 1999-10-05 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-20020032208-A1 Chemical compounds FLT1, CNKSR1, KDR EGFR 48/4885ERBB2 154/4885KDR 3/4885

“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.