SCHEMBL5458902

SCHEMBL5458902

COc1cc2c(=O)[nH]cnc2cc1OCC(O)CN1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.49
KDM4E B2RXH2 2/20 0.46
GLA P06280 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
BRAF P15056 2/20 0.45
RAF1 P04049 1/20 0.45
FGFR2 P21802 2/20 0.43
EGFR P00533 2/20 0.42
AURKA O14965 1/20 0.42
BRD2 P25440 2/20 0.42
BRD3 Q15059 2/20 0.42
BRDT Q58F21 2/20 0.42
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4380603 0.92 FGFR2 (0.50) KDM4EFGFR2EGFRAURKAMEN1
SCHEMBL4380606 0.92 FGFR2 (0.50) KDM4EFGFR2EGFRAURKAMEN1
SCHEMBL7572002 0.91 FGFR2 (0.51) KDM4EFGFR2EGFRAURKAMEN1
SCHEMBL5217568 0.89 EGFR (0.53) ALDH1A1FGFR2EGFRMEN1KMT2A
SCHEMBL5464557 0.86 MAPT (0.41) BRD4ALDH1A1BRAFRAF1EGFR
SCHEMBL5458888 0.84 KDM4E (0.46) BRD4KDM4EGLAALDH1A1LMNA
SCHEMBL7215157 0.83 EGFR (0.48) EGFRAURKA
SCHEMBL4025116 0.82 EHMT2 (0.52) EGFR
SCHEMBL5218230 0.80 EHMT2 (0.49) EGFR
SCHEMBL4371022 0.78 ABCB1 (0.43) FGFR2AURKA

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
US-20070066633-A1 Quinazoline compounds ASTRAZENECA AB 2007-03-22 US disclosed
US-7160889-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2007-01-09 US disclosed
EP-1274692-B1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2006-08-02 EP disclosed
US-20030191308-A1 Quinazoline compounds ASTRAZENECA AB (SE) 2003-10-09 US disclosed
EP-1274692-A1 QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2003-01-15 EP disclosed
WO-2001077085-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2001-10-18 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-20030191308-A1 Quinazoline compounds CNR1, CBR1, CCR7 BRD4 352/4885KDM4E 2520/4885GLA 3594/4885
US-20070066633-A1 Quinazoline compounds CCR7, CNR1, CBR3 BRD4 495/4885KDM4E 2943/4885GLA 4231/4885

“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.