SCHEMBL2945089

SCHEMBL2945089

O=C(O)c1cc2ccn(Cc3c(F)ccc(Cl)c3F)c2cn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.40
CCR2 P41597 3/20 0.37
KMO O15229 4/20 0.36
MAOB P27338 2/20 0.36
RORC P51449 3/20 0.36
KDM4E B2RXH2 1/20 0.35
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35
MET P08581 1/20 0.34
LMNA P02545 1/20 0.34
CCR9 P51686 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL1684111 0.88 HDAC6 (0.41) MMEMAOBMET
SCHEMBL2950091 0.86 ALDH1A1 (0.41) KDM4E
SCHEMBL2945173 0.82 KMO (0.43) CCR2KMOMAOBLMNAGRIN2B
SCHEMBL2951315 0.79 MAOB (0.54) CCR2MAOBLMNA
SCHEMBL2945336 0.76 PPARG (0.52) KMOMAOB
SCHEMBL5849849 0.75 TP53 (0.41) MMECCR2KMORORCKDM4E
SCHEMBL2950150 0.75 SLC22A12 (0.43) CCR2LMNA
SCHEMBL2945862 0.74 HSP90AA1 (0.38) MAOBCCR9GRIN1GRIN2B
SCHEMBL2943380 0.71 MAOB (0.40) MAOBGRIN2B
SCHEMBL2947108 0.69 ALDH1A1 (0.42) KDM4ELMNAGRIN2B

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-1558611-B1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER (US) 2010-01-06 EP disclosed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US disclosed
US-7368571-B2 HIV-Integrase inhibitors, pharmaceutical compositions and methods for their use PFIZER INC (US) 2008-05-06 US disclosed
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-7135482-B2 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-11-14 US disclosed
EP-1558611-A2 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC. (US) 2005-08-03 EP disclosed
US-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-07-29 US disclosed
WO-2004039803-A2 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC. (US) 2004-05-13 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 (3 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-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use IMPDH1, POLA1, POLB MME 2112/4885CCR2 2950/4885KMO 815/4885
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB MME 1552/4885CCR2 2844/4885KMO 665/4885
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB MME 1714/4885CCR2 3033/4885KMO 763/4885

“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.