SCHEMBL4394461

SCHEMBL4394461

Cc1cc(CNC(=O)c2nc3n(c(=O)c2OCc2ccccc2)CCN3Cc2ccccc2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SCD O00767 4/20 0.42
MMP13 P45452 8/20 0.42
MMP10 P09238 5/20 0.41
MMP8 P22894 5/20 0.41
S1PR3 Q99500 1/20 0.39
CLPP Q16740 2/20 0.39
KCNH2 Q12809 1/20 0.38
MMP9 P14780 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
KLKB1 P03952 1/20 0.37

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
SCHEMBL4394467 0.91 ADORA3 (0.41) HPGDKDM4EALDH1A1SCDMMP13
SCHEMBL4394359 0.90 MMP13 (0.43) HPGDALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4394424 0.89 MMP13 (0.42) KDM4EALDH1A1TSHRHSD17B10SCD
SCHEMBL4397714 0.88 SCD (0.49) HPGDKDM4EALDH1A1LMNATSHR
SCHEMBL4394283 0.88 MMP13 (0.41) HPGDALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4392812 0.88 KDM4E (0.46) HPGDKDM4EALDH1A1LMNATSHR
SCHEMBL4391905 0.82 SCD (0.41) HPGDKDM4EALDH1A1LMNATSHR
SCHEMBL4399163 0.80 SMN1; SMN2 (0.47) HPGDALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4393779 0.80 ADORA3 (0.45) HPGDKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4396976 0.79 SMN1; SMN2 (0.48) ALDH1A1LMNASMN1; SMN2SCDTP53

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 9 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
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 HPGD 250/4885KDM4E 1184/4885ALDH1A1 500/4885

“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.