SCHEMBL2889225

SCHEMBL2889225

Clc1ccc(Cn2nc(-c3nnn[nH]3)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PDE5A O76074 4/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GMNN O75496 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL2880797 0.91 PDE5A (0.52) CYP2D6CYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL2889690 0.85 NPSR1 (0.55) CYP2D6CYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL2889462 0.83 CYP1A2 (0.43) CYP2D6CYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL4483522 0.73 CYP1A2 (0.56) CYP2D6CYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL29696619 0.71 ESR1 (0.48) CYP2D6CYP3A4ALDH1A1LMNACYP2C19
SCHEMBL28458542 0.71 ESR1 (0.48) CYP2D6CYP3A4ALDH1A1LMNACYP2C19
SCHEMBL17039004 0.71 TDP1 (0.50) CYP2D6CYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL29459606 0.71 TDP1 (0.50) CYP2D6CYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL5110734 0.71 PDE5A (0.84) CYP2D6CYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL928140 0.69 PTGER4 (0.50) CYP2D6CYP1A2CYP3A4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113507-A1 3-Tetrazolyl Indazoles, 3-Tetrazolyl Pyrazolopyridines, and use Thereof BAYER HEALTHCARE AG (DE) 2010-05-06 US claimed
EP-2024361-A1 3-TETRAZOLYL INDAZOLES, 3-TETRAZOLYL PYRAZOLOPYRIDINES, AND USE THEREOF Bayer HealthCare AG (DE) 2009-02-18 EP claimed
WO-2007128454-A1 3-TETRAZOLYL INDAZOLES, 3-TETRAZOLYL PYRAZOLOPYRIDINES, AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-11-15 WO claimed
US-20100113507-A1 3-Tetrazolyl Indazoles, 3-Tetrazolyl Pyrazolopyridines, and use Thereof BAYER HEALTHCARE AG (DE) 2010-05-06 US disclosed
EP-2024361-A1 3-TETRAZOLYL INDAZOLES, 3-TETRAZOLYL PYRAZOLOPYRIDINES, AND USE THEREOF Bayer HealthCare AG (DE) 2009-02-18 EP disclosed
WO-2007128454-A1 3-TETRAZOLYL INDAZOLES, 3-TETRAZOLYL PYRAZOLOPYRIDINES, AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-11-15 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-20100113507-A1 3-Tetrazolyl Indazoles, 3-Tetrazolyl Pyrazolopyridines, and use Thereof TNNI3, FABP3, PPIP5K2 CYP2D6 1200/4885CYP1A2 328/4885CYP3A4 129/4885

“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.