SCHEMBL5651286

SCHEMBL5651286

COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 1.00
RET P07949 8/20 1.00
KIF5B P33176 6/20 1.00
EGFR P00533 10/20 0.76
RIPK2 O43353 2/20 0.76
NOD1 Q9Y239 2/20 0.76
BRAF P15056 2/20 0.74
JAK3 P52333 2/20 0.73
GAK O14976 1/20 0.73
STK10 O94804 1/20 0.73
FLT3 P36888 1/20 0.73
AAK1 Q2M2I8 1/20 0.73
Q6ZSR9 Q6ZSR9 1/20 0.73
SLK Q9H2G2 1/20 0.73
IRAK4 Q9NWZ3 1/20 0.73
RPS6KA6 Q9UK32 1/20 0.73
ALK Q9UM73 1/20 0.73
ABCG2 Q9UNQ0 2/20 0.72
ABCB1 P08183 1/20 0.72
CLK1 P49759 1/20 0.72

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 SCHEMBL7859467 0.99 KDR (0.98) KDRRETKIF5BEGFRRIPK2
SCHEMBL5652377 0.91 KDR (0.83) KDRRETKIF5BEGFRRIPK2
Hydrochloric Acid SCHEMBL7865973 0.90 KDR (0.82) KDRRETKIF5BEGFRRIPK2
SCHEMBL6068633 0.90 KDR (0.82) KDRRETKIF5BEGFRRIPK2
SCHEMBL7864670 0.89 KDR (0.80) KDRRETKIF5BEGFRRIPK2
SCHEMBL7454466 0.89 KDR (0.78) KDRRETKIF5BEGFRRIPK2
SCHEMBL5565204 0.88 KDR (0.79) KDRRETKIF5BEGFRRIPK2
Hydrochloric Acid SCHEMBL7455631 0.88 KDR (0.77) KDRRETKIF5BEGFRRIPK2
SCHEMBL7448009 0.88 KDR (0.77) KDRRETKIF5BEGFRRIPK2
SCHEMBL7455454 0.88 EGFR (0.79) KDRRETKIF5BEGFRRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10548897-B2 KSR antagonists ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-02-04 US disclosed
WO-2016168704-A1 KSR ANTAGONISTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2016-10-20 WO disclosed
US-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors WYETH (US) 2007-12-27 US disclosed
WO-2005115145-A2 QUINONE SUBSTITUTED QUINAZOLINE AND QUINOLINE KINASE INHIBITORS WYETH (US) 2005-12-08 WO disclosed
CN-1116286-C 4-anilinoquinazoline derivatives ZENECA LTD (GB) 2003-07-30 CN disclosed
EP-0885198-B1 4-ANILINOQUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-12-19 EP disclosed
US-6291455-B1 PRODUCING AN ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY REDUCING EFFECT ZENECA LIMITED (GB) 2001-09-18 US disclosed
CN-1212684-A 4-anilinoquinazoline derivatives ZENECA LTD (GB) 1999-03-31 CN disclosed
EP-0885198-A1 4-ANILINOQUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-12-23 EP disclosed
WO-1997032856-A1 4-ANILINOQUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-09-12 WO 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 (2 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-10548897-B2 KSR antagonists KSR1, KSR2, KRAS KDR 1123/4885RET 321/4885KIF5B 1112/4885
US-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors KDR, FLT1, FLT4 KDR 1/4885RET 81/4885KIF5B 1157/4885

“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.