SCHEMBL4397356

SCHEMBL4397356

CNC(=O)c1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCN2c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
METAP2 P50579 2/20 0.36
GRM5 P41594 1/20 0.36
GRM3 Q14832 1/20 0.36
KCNA5 P22460 1/20 0.36
TP53 P04637 3/20 0.36
POLB P06746 2/20 0.36
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
P2RX7 Q99572 1/20 0.34
MAPK8 P45983 1/20 0.34
RIPK1 Q13546 1/20 0.34
THRB P10828 1/20 0.34
LRRK2 Q5S007 1/20 0.34
MET P08581 1/20 0.34

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
SCHEMBL4394217 0.91 MAPT (0.37) MAPTLMNAL3MBTL1KCNA5TP53
SCHEMBL4391905 0.89 SCD (0.41) SCDMAPTLMNAL3MBTL1KCNA5
SCHEMBL4399125 0.89 LMNA (0.35) MAPTLMNAL3MBTL1KCNA5PLA2G1B
SCHEMBL14566971 0.88 METAP2 (0.36) SCDMAPTLMNAL3MBTL1METAP2
SCHEMBL4390455 0.87 ADORA3 (0.37) SCDMAPTLMNAL3MBTL1KCNA5
SCHEMBL4392646 0.86 GRM5 (0.36) SCDMAPTLMNAL3MBTL1METAP2
SCHEMBL4397947 0.86 CYP2C9 (0.39) SCDMETAP2TP53POLBP2RX7
SCHEMBL4398021 0.86 LMNA (0.48) SCDMAPTLMNAL3MBTL1METAP2
SCHEMBL10077173 0.86 KCNH2 (0.34) SCDMAPTLMNAL3MBTL1METAP2
SCHEMBL5643962 0.86 MAPT (0.37) MAPTLMNAL3MBTL1KCNA5TP53

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 SCD 2458/4885MAPT 3937/4885LMNA 796/4885

“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.