SCHEMBL4394283

SCHEMBL4394283

Cc1cc(CNC(=O)c2nc3n(c(=O)c2OCc2ccccc2)CCN3C(C)C)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.41
MMP10 P09238 5/20 0.41
MMP8 P22894 5/20 0.41
S1PR3 Q99500 3/20 0.39
MMP9 P14780 1/20 0.37
SENP5 Q96HI0 2/20 0.37
SENP2 Q9HC62 2/20 0.37
SENP1 Q9P0U3 2/20 0.37
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4394359 0.90 MMP13 (0.43) MMP13MMP10MMP8S1PR3MMP9
SCHEMBL4392552 0.89 MAPT (0.46) TP53LMNAMAPTL3MBTL1CYP1A2
SCHEMBL4394424 0.88 MMP13 (0.42) MMP13MMP10MMP8S1PR3MMP9
SCHEMBL4394461 0.88 HPGD (0.44) MMP13MMP10MMP8S1PR3MMP9
SCHEMBL4394467 0.85 ADORA3 (0.41) MMP13MMP10MMP8ALDH1A1HPGD
SCHEMBL4392369 0.84 MMP13 (0.45) MMP13MMP10MMP8MMP9SCD
SCHEMBL4399125 0.82 LMNA (0.35) LMNAMAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL4394462 0.80 CYP1A2 (0.39) MMP9LMNACYP1A2CYP2C19ALDH1A1
SCHEMBL4392371 0.80 P2RX7 (0.34) THRBCYP1A2ALDH1A1SCD
SCHEMBL4392389 0.80 P2RX7 (0.33) THRBLMNASMN1; SMN2

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
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
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 MMP13 3942/4885MMP10 3399/4885MMP8 2874/4885

“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.