SCHEMBL2950150

SCHEMBL2950150

O=C(O)c1cc2ccn(Cc3cccc(Cl)c3Cl)c2cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.43
DBH P09172 1/20 0.39
PIK3C2B O00750 1/20 0.39
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
PIK3CB P42338 6/20 0.38
PIK3CD O00329 5/20 0.38
PIK3CG P48736 4/20 0.38
PIK3CA P42336 3/20 0.38
P2RX7 Q99572 1/20 0.38
NR1I2 O75469 1/20 0.38
CCR2 P41597 1/20 0.37
LMNA P02545 1/20 0.37
MAP3K14 Q99558 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CMA1 P23946 1/20 0.36

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
SCHEMBL2945173 0.89 KMO (0.43) FLT1KDRNR1I2CCR2LMNA
SCHEMBL1684158 0.88 HDAC6 (0.41) SLC22A12DBHFLT1KDR
SCHEMBL2951231 0.85 ALDH1A1 (0.43) SLC22A12LMNASMN1; SMN2
SCHEMBL1608625 0.79 FLT1 (0.43) SLC22A12DBHFLT1KDR
SCHEMBL2943380 0.77 MAOB (0.40) FLT1KDR
SCHEMBL2951315 0.76 MAOB (0.54) CCR2LMNASMN1; SMN2
SCHEMBL2945336 0.75 PPARG (0.52)
SCHEMBL2945862 0.75 HSP90AA1 (0.38)
SCHEMBL2945089 0.75 MME (0.40) CCR2LMNA
SCHEMBL2947108 0.75 ALDH1A1 (0.42) LMNASMN1; SMN2

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 SLC22A12 2763/4885DBH 2762/4885PIK3C2B 107/4885
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB SLC22A12 2459/4885DBH 2498/4885PIK3C2B 146/4885
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB SLC22A12 2649/4885DBH 2562/4885PIK3C2B 114/4885

“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.