SCHEMBL1823752

SCHEMBL1823752

Fc1cc(-c2ccc3ncnc(Nc4ccc(-n5cncn5)cc4)c3c2)ccc1OCCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.50
ERBB2 P04626 4/20 0.44
FLT4 P35916 3/20 0.44
KDR P35968 3/20 0.44
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
AURKA O14965 1/20 0.44
PDGFRB P09619 1/20 0.44
TEK Q02763 1/20 0.44
AURKB Q96GD4 1/20 0.44
RET P07949 3/20 0.43
SRC P12931 2/20 0.43
ERBB4 Q15303 2/20 0.43
CIT O14578 1/20 0.43
GAK O14976 1/20 0.43
EPHB6 O15197 1/20 0.43
ABCC4 O15439 1/20 0.43
DAPK3 O43293 1/20 0.43
RIPK2 O43353 1/20 0.43
NR1I2 O75469 1/20 0.43

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
SCHEMBL1823919 0.93 SRC (0.52) EGFRERBB2FLT4KDRFGFR1
SCHEMBL1824546 0.86 RAF1 (0.47) EGFRERBB2KDRFLT1ERBB4
SCHEMBL1826544 0.85 EGFR (0.50) EGFRERBB2AURKAERBB4BRAF
SCHEMBL1822663 0.85 EGFR (0.47) EGFRERBB2KDRRETERBB4
SCHEMBL1826622 0.83 BRAF (0.56) EGFRBRAF
SCHEMBL4937677 0.82 SRC (0.57) EGFRERBB2FLT4KDRFGFR1
SCHEMBL4970476 0.82 EGFR (0.43) EGFRERBB2FLT4KDRFGFR1
SCHEMBL1824592 0.82 EGFR (0.43) EGFRERBB2KDRERBB4BRAF
SCHEMBL1824255 0.81 EGFR (0.50) EGFRERBB2ERBB4MAP4K4MAPT
SCHEMBL1825395 0.78 EGFR (0.52) EGFRERBB2ERBB4MAP4K4BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981876-B1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LTD (GB) 2011-05-04 EP disclosed
US-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
EP-1981876-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS Arrow Therapeutics Limited (GB) 2008-10-22 EP disclosed
WO-2007080401-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2007-07-19 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-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS SLC28A1, TPMT, ACE EGFR 4285/4885ERBB2 4431/4885FLT4 1911/4885

“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.