SCHEMBL4392827

SCHEMBL4392827

O=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCN2CCO

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
CYP2C9 P11712 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
KCNE1 P15382 1/20 0.45
CCR1 P32246 1/20 0.45
KCNQ1 P51787 1/20 0.45
CALCA P06881 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ERCC1 P07992 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL4392613 0.89 KCNH2 (0.50) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL4398654 0.89 KCNH2 (0.50) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL4390342 0.86 KCNH2 (0.54) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL4397417 0.86 SCD (0.52) KCNH2CYP2C9SMN1; SMN2CALCAGAA
SCHEMBL5533765 0.82 KCNH2 (0.54) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL4393633 0.82 KCNH2 (0.52) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL4390091 0.81 KCNH2 (0.49) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL4393775 0.79 CYP2C9 (0.56) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL6093565 0.79 KCNE1 (0.49) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL4393723 0.79 CYP2C9 (0.36) KCNH2CYP2C9KCNE1CCR1KCNQ1

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 12 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 claimed
US-7494984-B2 Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-24 US claimed
US-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US claimed
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
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 KCNH2 2989/4885CYP2C9 247/4885SMN1; SMN2 4498/4885

“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.