SCHEMBL4392646

SCHEMBL4392646

O=C(NCc1ccc(F)cc1N1CCC1=O)c1nc2n(c(=O)c1OCc1ccccc1)CCN2c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.36
P2RX7 Q99572 3/20 0.35
METAP2 P50579 1/20 0.35
GRM3 Q14832 1/20 0.35
SCD O00767 2/20 0.34
CACNA1G O43497 2/20 0.34
CACNA1H O95180 2/20 0.34
MGAT2 Q10469 1/20 0.34
LMNA P02545 2/20 0.33
KCNA5 P22460 1/20 0.33
RIPK1 Q13546 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 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
SCHEMBL4399210 0.96 LMNA (0.39) GRM5P2RX7METAP2GRM3MGAT2
SCHEMBL4397521 0.87 KCNT1 (0.36) GRM5P2RX7METAP2GRM3LMNA
SCHEMBL4394170 0.87 CYP2C9 (0.37) P2RX7METAP2SCDCACNA1GCACNA1H
SCHEMBL4392706 0.86 P2RX7 (0.36) GRM5P2RX7METAP2GRM3SCD
SCHEMBL13953644 0.86 P2RX7 (0.34) GRM5P2RX7METAP2GRM3LMNA
SCHEMBL4400787 0.86 P2RX7 (0.35) GRM5P2RX7METAP2GRM3SCD
SCHEMBL14566971 0.86 METAP2 (0.36) GRM5P2RX7METAP2GRM3SCD
SCHEMBL4397356 0.86 SCD (0.36) GRM5P2RX7METAP2GRM3SCD
SCHEMBL4398021 0.85 LMNA (0.48) GRM5METAP2GRM3SCDLMNA
SCHEMBL10077173 0.83 KCNH2 (0.34) GRM5P2RX7METAP2GRM3SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919921-B1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-06-27 EP disclosed
EP-1919921-B1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-06-27 EP disclosed
US-7494984-B2 Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-24 US disclosed
US-7494984-B2 Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-24 US disclosed
US-7494984-B2 Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-24 US disclosed
EP-1919921-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2008-05-14 EP disclosed
WO-2007027754-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-08 WO disclosed
WO-2007027754-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-08 WO disclosed
US-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US disclosed
US-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US disclosed
US-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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 (1 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-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors CCNI, APOBEC3C, CDKN1A GRM5 4550/4885P2RX7 2374/4885METAP2 4204/4885

“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.