SCHEMBL2889462

SCHEMBL2889462

Cc1cc(Cl)ccc1Cn1nc(-c2nnn[nH]2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
PMP22 Q01453 2/20 0.43
HIF1A Q16665 2/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHRM1 P11229 10/20 0.39
BUB1 O43683 2/20 0.38
PDE5A O76074 4/20 0.38
OPRM1 P35372 1/20 0.38
SLC9A1 P19634 1/20 0.37
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL2889690 0.89 NPSR1 (0.55) CYP1A2CYP3A4CYP2D6CYP2C9PMP22
SCHEMBL5318243 0.84 CCR2 (0.36) BUB1PDE5APOLB
SCHEMBL2889225 0.83 CYP2D6 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9PMP22
SCHEMBL2880797 0.79 PDE5A (0.52) CYP1A2CYP3A4CYP2D6CYP2C9PMP22
SCHEMBL27800001 0.74 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9PMP22
SCHEMBL927783 0.74 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9PMP22
SCHEMBL29562255 0.73 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9PMP22
SCHEMBL1603062 0.73 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9PMP22
SCHEMBL5320369 0.73 NR1H2 (0.43) PDE5A
SCHEMBL1603498 0.72 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9PMP22

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
US-20100113507-A1 3-Tetrazolyl Indazoles, 3-Tetrazolyl Pyrazolopyridines, and use Thereof BAYER HEALTHCARE AG (DE) 2010-05-06 US 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 CYP1A2 328/4885CYP3A4 129/4885CYP2D6 1200/4885

“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.