SCHEMBL4170906

SCHEMBL4170906

CC(C)(C)C1NN(Cc2ccc(F)cc2)C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)cc3)cn21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POU2F2 P09086 8/20 0.43
LIPG Q9Y5X9 1/20 0.41
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
SLC22A2 O15244 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
STAT3 P40763 1/20 0.38

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
SCHEMBL4167533 0.88 POU2F2 (0.44) POU2F2LIPGADORA2AADORA1SLC22A2
SCHEMBL4176600 0.85 POU2F2 (0.43) POU2F2LIPGADORA2AADORA1SLC22A2
SCHEMBL4167574 0.85 POU2F2 (0.43) POU2F2LIPGADORA2AADORA1SLC22A2
SCHEMBL4173655 0.85 POU2F2 (0.42) POU2F2LIPGADORA2AADORA1SLC22A2
SCHEMBL4170844 0.84 POU2F2 (0.47) POU2F2SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL4161010 0.83 POU2F2 (0.41) POU2F2LIPGADORA2AADORA1SLC22A2
SCHEMBL4171401 0.76 SLC22A2 (0.48) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2186003 0.76 POU2F2 (0.45) POU2F2SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL8984424 0.75 CNR2 (0.46) LIPGMEN1KMT2A
SCHEMBL4154425 0.73 POU2F2 (0.47) POU2F2LIPGMEN1KMT2ASTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1950212-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE SHIONOGI & CO (JP) 2016-02-24 EP disclosed
US-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY YOSHIDA HIROSHI (JP) 2012-08-16 US disclosed
US-8188271-B2 Polycyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-05-29 US disclosed
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
EP-1950212-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE Shionogi Co., Ltd. (JP) 2008-07-30 EP 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 (2 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-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY CDKN1A, CDK2, CDK2AP1 POU2F2 1168/4885LIPG 3032/4885ADORA2A 4180/4885
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity CDK20, CYP4A22, CDK10 POU2F2 2135/4885LIPG 4664/4885ADORA2A 1680/4885

“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.