SCHEMBL3819981

SCHEMBL3819981

O=C1CCC(n2cc(I)c3c(Cl)ncnc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 11/20 0.48
SLC29A1 Q99808 1/20 0.46
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
SRC P12931 3/20 0.35
ABL1 P00519 3/20 0.35
DAPK3 O43293 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
FLT1 P17948 1/20 0.35
LTK P29376 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35

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
SCHEMBL16236390 0.89 ADK (0.54) ADKSLC29A1MTORRAB9ASRC
SCHEMBL29484542 0.89 ADK (0.54) ADKSLC29A1MTORRAB9ASRC
SCHEMBL9950693 0.86 ADK (0.48) ADKSLC29A1MTORRAB9ASRC
SCHEMBL1939761 0.86 ADK (0.52) ADKSLC29A1MTORRAB9ASRC
SCHEMBL401328 0.86 ADK (0.52) ADKSLC29A1MTORRAB9ASRC
SCHEMBL30373169 0.85 ADK (0.51) ADKSLC29A1MTORRAB9ASRC
SCHEMBL16236685 0.85 ADK (0.51) ADKSLC29A1MTORRAB9ASRC
SCHEMBL22086530 0.85 ADK (0.51) ADKSLC29A1MTORRAB9ASRC
SCHEMBL1933892 0.84 MTOR (0.52) ADKMTORRAB9ASRCABL1
SCHEMBL9950831 0.82 ADK (0.55) ADKSLC29A1MTORRAB9ASRC

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
EP-1730148-A4 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS ABBOTT LAB (US) 2009-08-19 EP disclosed
EP-1730148-A2 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2006-12-13 EP disclosed
US-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABBOTT LABORATORIES 2006-02-02 US disclosed
WO-2005074603-A2 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-08-18 WO disclosed
US-6713474-B2 SERINE-THREONINE AND TYROSINE KINASE INHIBITORS ABBOTT GMBH & CO. KG (DE) 2004-03-30 US disclosed
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-08-14 US disclosed
EP-1114053-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 EP disclosed
WO-2000017203-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 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-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI ADK 1047/4885SLC29A1 700/4885MTOR 110/4885
US-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABL1, MAP3K19, MAP3K20 ADK 144/4885SLC29A1 1901/4885MTOR 39/4885

“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.