SCHEMBL17379486

SCHEMBL17379486

O=c1n(CCN2CCOCC2)nc2ccc(Br)cn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.50
▸ SLC2A1 P11166 1/20 0.44
▸ TRIM33 Q9UPN9 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MPI P34949 1/20 0.42
▸ GPR139 Q6DWJ6 1/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ TSHR P16473 3/20 0.39
▸ SLC5A1 P13866 1/20 0.38
▸ SLC5A2 P31639 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HTR1A P08908 2/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ MEN1 O00255 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
SCHEMBL18859450 0.78 TSHR (0.38) TRIM33KMT2ALMNAALDH1A1MAPT
SCHEMBL23725860 0.77 PDE10A (0.56) PDE10AALDH1A1GPR139TSHRSLC5A1
SCHEMBL23726701 0.75 PDE10A (0.54) PDE10ALMNAALDH1A1GPR139SLC5A1
SCHEMBL318232 0.75 SCN5A (0.57) GPR139
SCHEMBL269389 0.73 DRD2 (0.62) LMNAALDH1A1KDM4EHTR1ADRD2
SCHEMBL17379489 0.73 SLC2A1 (0.43) SLC2A1TRIM33KMT2ALMNAALDH1A1
SCHEMBL18859463 0.72 KDM4E (0.48) SLC2A1TRIM33KMT2AALDH1A1KDM4E
SCHEMBL17379009 0.71 ALDH1A1 (0.48) SLC2A1TRIM33ALDH1A1MAPTTSHR
SCHEMBL18759814 0.70 SLC2A1 (0.51) SLC2A1TRIM33ALDH1A1MAPTTSHR
SCHEMBL17379263 0.70 TSHR (0.47) SLC2A1TRIM33ALDH1A1MAPTTSHR

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
US-9856256-B2 Pyridino[1,2-A]pyrimidone analogue used as P13K inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-01-02 — — US disclosed
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-05-18 — — US disclosed
EP-3159341-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS PI3K INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2017-04-26 — — EP disclosed
EP-3159341-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS PI3K INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2017-04-26 — — EP disclosed
WO-2015192760-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS PI3K INHIBITOR 南京明德新药研发股份有限公司 2015-12-23 — — WO 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-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR PIK3CA, PIK3CD, PIP5K1B PDE10A 1208/4885SLC2A1 2868/4885TRIM33 1691/4885

“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.

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