SCHEMBL4232124

SCHEMBL4232124

O=C(O)c1ccc(P(=O)(OCc2ccccc2)OCc2ccccc2)cc1.[Ag]

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.56
NR4A1 P22736 1/20 0.56
NR4A3 Q92570 1/20 0.56
TSHR P16473 1/20 0.53
SRD5A2 P31213 2/20 0.51
PLA2G4B P0C869 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXRA P19793 4/20 0.45
CETP P11597 3/20 0.45
RXRB P28702 3/20 0.45
RXRG P48443 2/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL21805836 0.85 MEN1 (0.53) NR4A2NR4A1NR4A3TSHRSRD5A2
Silver SCHEMBL4232127 0.84 TSHR (0.50) NR4A2NR4A1NR4A3TSHRKMT2A
SCHEMBL5400948 0.84 TSHR (0.61) TSHRMEN1KMT2ACETPALDH1A1
SCHEMBL28488225 0.83 NR4A1 (0.59) NR4A2NR4A1NR4A3TSHRSRD5A2
SCHEMBL2981632 0.81 NR4A1 (0.61) NR4A2NR4A1NR4A3TSHRSRD5A2
SCHEMBL4220649 0.79 NR4A2 (0.63) NR4A2NR4A1NR4A3TSHRSRD5A2
SCHEMBL2207123 0.77 MEN1 (0.50) TSHRSRD5A2PLA2G4BMEN1KMT2A
SCHEMBL2987983 0.77 NR4A2 (0.65) NR4A2NR4A1NR4A3TSHRSRD5A2
Terephthalic Acid SCHEMBL11039705 0.76 NR4A2 (0.69) NR4A2NR4A1NR4A3TSHRSRD5A2
SCHEMBL20710698 0.76 LTA4H (0.52) TSHRMEN1KMT2ACETPALDH1A1

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 NR4A2 2218/4885NR4A1 2433/4885NR4A3 1710/4885
US-20070213300-A1 PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS CDK2, CDK3, CDK1 NR4A2 2162/4885NR4A1 2402/4885NR4A3 1704/4885

“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.