SCHEMBL16016402

SCHEMBL16016402

Cc1cnc(Cc2ccc(F)cc2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
PKM P14618 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.39
TYMP P19971 1/20 0.38
BRS3 P32247 1/20 0.38
HPGDS O60760 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36

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
SCHEMBL4494347 0.81 HPGDS (0.54) GAAHPGDSTAAR1
Hydrochloric Acid SCHEMBL8130185 0.76 BRS3 (0.43) MAPTPKMALDH1A1LMNAHPGD
SCHEMBL25911828 0.75 MMP13 (0.55) MAPTPKMALDH1A1LMNAHPGD
SCHEMBL16016391 0.73 ALDH1A1 (0.49) MAPTPKMALDH1A1LMNAHPGD
SCHEMBL1564336 0.73 PKM (0.45) MAPTPKMALDH1A1LMNAHPGD
SCHEMBL16016390 0.73 HRH1 (0.47) MAPTPKMALDH1A1LMNAHPGD
SCHEMBL17321273 0.72 HPGD (0.44) MAPTPKMALDH1A1LMNAHPGD
SCHEMBL753107 0.71 GRM2 (0.41) MAPTPKMALDH1A1LMNAHPGD
SCHEMBL956678 0.70 TAAR1 (0.54) ALDH1A1HPGDSTAAR1
SCHEMBL755263 0.69 GRM2 (0.42) MAPTPKMALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2774928-B1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE-INHIBITING ACTIVITY SHIONOGI & CO (JP) 2017-08-30 EP disclosed
US-9200009-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-20140256937-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-2774928-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2014-09-10 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 (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-20140256937-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 MAPT 4308/4885PKM 666/4885ALDH1A1 1332/4885

“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.