SCHEMBL16695658

SCHEMBL16695658

O=c1[nH]c2ccnn2c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 2/20 0.48
LDHA P00338 1/20 0.45
PARP1 P09874 5/20 0.44
AURKA O14965 1/20 0.44
HPGD P15428 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE2A O00408 1/20 0.40
PDE6D O43924 1/20 0.40
PDE8A O60658 1/20 0.40
PDE5A O76074 1/20 0.40
PDE9A O76083 1/20 0.40
PDE8B O95263 1/20 0.40
PDE6A P16499 1/20 0.40
PDE6G P18545 1/20 0.40
PDE4A P27815 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
SCHEMBL13130996 0.80 DAO (0.46) KDM4DPARP1PDE2APDE6DPDE8A
SCHEMBL19134467 0.79 PARP1 (0.50) KDM4DPARP1CYP1A2
SCHEMBL29792892 0.77 PARP1 (0.56) PARP1HPGDCYP1A2CYP2C9
SCHEMBL527381 0.77 PARP1 (0.56) PARP1HPGDCYP1A2CYP2C9
SCHEMBL16695720 0.76 PARP1 (0.63) KDM4DLDHAPARP1AURKAHPGD
SCHEMBL11603501 0.74 FEN1 (0.54) PARP1AURKACYP1A2CYP2C19MAPT
SCHEMBL23500591 0.73 KDM4D (0.47) KDM4DLDHAPARP1AURKAHPGD
SCHEMBL31330116 0.73 PARP1 (0.46) KDM4DLDHAPARP1AURKAHPGD
SCHEMBL31330201 0.73 PARP1 (0.46) KDM4DLDHAPARP1AURKAHPGD
SCHEMBL23509253 0.72 MAT2A (0.38) PDE9AHCAR2

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
WO-2021115225-A1 PYRAZOLE-CONTAINING POLYCYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2021-06-17 WO disclosed
US-9708332-B2 Respiratory syncytial virus inhibitors MEDIVIR AB (SE) 2017-07-18 US disclosed
US-9708332-B2 Respiratory syncytial virus inhibitors MEDIVIR AB (SE) 2017-07-18 US disclosed
US-20160272646-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2016-09-22 US disclosed
WO-2015065338-A1 QUINAZOLINE BASED RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2015-05-07 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-20160272646-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS HIF1AN, RNASEH1, RTF1 KDM4D 3912/4885LDHA 2461/4885PARP1 2944/4885

“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.