SCHEMBL2944831

SCHEMBL2944831

CCOC(=O)c1cc2c(cn1)c(COc1ccc(Cl)cc1)cn2CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
GABRA2 P47869 8/20 0.41
GABRA1 P14867 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRB2 P47870 7/20 0.40
POLB P06746 1/20 0.40
PTPN11 Q06124 1/20 0.40
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL2950146 0.90 ALDH1A1 (0.42) MAPTGABRA2GABRA1GABRG2GABRB3
SCHEMBL13515725 0.86 MAP3K5 (0.39) MAPTLMNAKDM4ENPC1RAB9A
SCHEMBL2950923 0.84 MAPT (0.50) MAPTGABRA2GABRA1GABRG2GABRB3
SCHEMBL2951309 0.83 GABRA1 (0.41) MAPTGABRA2GABRA1GABRG2GABRB3
SCHEMBL2945110 0.83 GABRA1 (0.41) MAPTGABRA2GABRA1GABRG2GABRB3
SCHEMBL2947275 0.82 KDM4E (0.40) MAPTGABRA2GABRA1GABRG2GABRB3
SCHEMBL2950086 0.82 MRGPRX4 (0.46) MAPTPOLBPTPN11NPC1RAB9A
SCHEMBL2946990 0.81 GABRA1 (0.46) MAPTGABRA2GABRA1GABRG2GABRB3
SCHEMBL2952022 0.79 RAB9A (0.44) GABRA2GABRA1GABRG2GABRB3GABRA5
SCHEMBL2947278 0.78 GABRA1 (0.40) MAPTGABRA2GABRA1GABRG2GABRB3

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 6 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
US-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-07-29 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 (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 MAPT 2334/4885GABRA2 2921/4885GABRA1 1833/4885
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB MAPT 2278/4885GABRA2 2664/4885GABRA1 2018/4885
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB MAPT 1998/4885GABRA2 2666/4885GABRA1 1997/4885

“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.