SCHEMBL6068633

SCHEMBL6068633

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.82
RET P07949 7/20 0.82
KIF5B P33176 5/20 0.82
JAK3 P52333 2/20 0.76
ABCG2 Q9UNQ0 2/20 0.76
ABCB1 P08183 1/20 0.76
EGFR P00533 12/20 0.73
RIPK2 O43353 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
NOD1 Q9Y239 2/20 0.72
CLK1 P49759 1/20 0.72
LCK P06239 3/20 0.71

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
SCHEMBL5651286 0.90 KDR (1.00) KDRRETKIF5BJAK3ABCG2
Hydrochloric Acid SCHEMBL7859467 0.89 KDR (0.98) KDRRETKIF5BJAK3ABCG2
SCHEMBL5565204 0.88 KDR (0.79) KDRRETKIF5BJAK3ABCG2
SCHEMBL7112009 0.86 KDR (0.76) KDRRETKIF5BJAK3ABCG2
SCHEMBL5864719 0.86 KDR (0.82) KDRRETKIF5BJAK3ABCG2
SCHEMBL5864546 0.86 KDR (0.82) KDRRETKIF5BJAK3ABCG2
SCHEMBL29651 0.86 JAK3 (1.00) KDRRETKIF5BJAK3ABCG2
SCHEMBL29711485 0.86 JAK3 (1.00) KDRRETKIF5BJAK3ABCG2
SCHEMBL29372372 0.86 JAK3 (1.00) KDRRETKIF5BJAK3ABCG2
Whi-P131 SCHEMBL29295 0.84 EGFR (1.00) KDRRETKIF5BJAK3ABCG2

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 9 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-7081461-B1 Quinazoline compounds and pharmaceutical compositions containing them ASTRAZENECA AB (SE) 2006-07-25 US disclosed
EP-1218356-A1 QUINAZOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021594-A1 QUINAZOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-03-29 WO disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 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 (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-10548897-B2 KSR antagonists KSR1, KSR2, KRAS KDR 1123/4885RET 321/4885KIF5B 1112/4885

“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.