SCHEMBL4222632

SCHEMBL4222632

O=C(O)Cc1ccc(OCc2ccccc2)cc1.[Ag]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.68
FFAR4 Q5NUL3 2/20 0.68
ALOX5 P09917 5/20 0.67
NR4A1 P22736 1/20 0.64
NR4A2 P43354 1/20 0.64
NR4A3 Q92570 1/20 0.64
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
PTGS1 P23219 1/20 0.61
SLC6A2 P23975 1/20 0.61
CYP2C19 P33261 1/20 0.61
PTGS2 P35354 1/20 0.61
SLC6A3 Q01959 1/20 0.61
HIF1A Q16665 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
AKR1B1 P15121 1/20 0.61
MAOB P27338 1/20 0.60
PARP10 Q53GL7 1/20 0.60
LTB4R Q15722 1/20 0.58
LTB4R2 Q9NPC1 1/20 0.58

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
SCHEMBL1066614 0.98 FFAR1 (0.70) FFAR1FFAR4ALOX5NR4A1NR4A2
Hydrochloric Acid SCHEMBL10622121 0.96 FFAR1 (0.68) FFAR1FFAR4ALOX5NR4A1NR4A2
Ammonia Solution, Strong SCHEMBL27788257 0.96 FFAR1 (0.68) FFAR1FFAR4ALOX5NR4A1NR4A2
SCHEMBL6341082 0.93 FFAR1 (0.68) FFAR1FFAR4ALOX5NR4A1NR4A2
SCHEMBL6182 0.93 FFAR1 (0.69) FFAR1FFAR4ALOX5NR4A1NR4A2
SCHEMBL5205577 0.90 FFAR1 (0.72) FFAR1FFAR4ALOX5NR4A1NR4A2
SCHEMBL1756380 0.90 FFAR1 (0.72) FFAR1FFAR4ALOX5NR4A1NR4A2
SCHEMBL14539208 0.88 PTPRC (0.64) FFAR1FFAR4ALOX5NR4A2AKR1B1
SCHEMBL6238323 0.87 ALDH1A1 (0.73) FFAR1FFAR4ALOX5NR4A1NR4A2
SCHEMBL2166377 0.84 ALOX5 (0.65) FFAR1FFAR4ALOX5NR4A1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572795-B2 Pyrrolotriazine aniline prodrug compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-20090156555-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-06-18 US disclosed
EP-2001886-A2 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2008-12-17 EP disclosed
WO-2007103839-A2 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-13 WO disclosed
US-20070213300-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US 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-20090156555-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS CDK2, CDK3, CDK1 FFAR1 1882/4885FFAR4 3376/4885ALOX5 4215/4885
US-20070213300-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS CDK2, CDK3, CDK1 FFAR1 1936/4885FFAR4 3419/4885ALOX5 4170/4885

“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.