SCHEMBL4166013

SCHEMBL4166013

CN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)cc3)cn2C(CCc2ccccc2)N1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POU2F2 P09086 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
LIPG Q9Y5X9 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR2 P34972 3/20 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
SCHEMBL4154425 0.81 POU2F2 (0.47) KMT2AMEN1POU2F2LIPGMAPT
SCHEMBL4159018 0.80 KMT2A (0.46) KMT2APOU2F2LMNAMAPT
SCHEMBL4157354 0.78 POU2F2 (0.51) POU2F2LIPGLMNAMAPT
SCHEMBL2185545 0.74 SLC22A2 (0.44) KMT2AMEN1
SCHEMBL2237584 0.74 KMT2A (0.48) KMT2AMEN1L3MBTL1CYP1A2CYP2C19
SCHEMBL2186323 0.73 SLC22A2 (0.44) KMT2AMEN1
SCHEMBL23843733 0.73 LMNA (0.41) LMNA
SCHEMBL4154841 0.73 LIPG (0.47) LIPGSMN1; SMN2MAPT
SCHEMBL4167533 0.72 POU2F2 (0.44) KMT2AMEN1POU2F2LIPG
SCHEMBL4167574 0.71 POU2F2 (0.43) POU2F2LIPG

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-1950212-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE SHIONOGI & CO (JP) 2016-02-24 EP disclosed
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-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY YOSHIDA HIROSHI (JP) 2012-08-16 US 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-8188271-B2 Polycyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-05-29 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
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity SHIONOGI & CO., LTD. (JP) 2009-06-04 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 KMT2A 215/4885MEN1 3491/4885POU2F2 1168/4885
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity CDK20, CYP4A22, CDK10 KMT2A 214/4885MEN1 4106/4885POU2F2 2135/4885

“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.