SCHEMBL2889690

SCHEMBL2889690

Clc1ccc(Cn2nc(-c3nnn[nH]3)c3ccccc32)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.55
TSHR P16473 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
PMP22 Q01453 1/20 0.55
HIF1A Q16665 1/20 0.55
SLC9A1 P19634 1/20 0.49
BUB1 O43683 3/20 0.44
LMNA P02545 5/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL2889462 0.89 CYP1A2 (0.43) NPSR1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL2889225 0.85 CYP2D6 (0.44) NPSR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2880797 0.81 PDE5A (0.52) CYP1A2CYP3A4CYP2D6CYP2C9PMP22
SCHEMBL19128354 0.74 CYP1A2 (0.65) NPSR1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL14584085 0.74 CYP1A2 (0.65) NPSR1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL5320369 0.74 NR1H2 (0.43)
SCHEMBL5321077 0.74 NR1H2 (0.42) LMNAKMT2AMEN1ALDH1A1GAA
SCHEMBL5318243 0.74 CCR2 (0.36) BUB1HTTPOLB
SCHEMBL928760 0.72 CYP1A2 (0.66) NPSR1TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL16366286 0.72 CYP1A2 (0.62) NPSR1TSHRCYP1A2CYP3A4CYP2D6

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 NPSR1 2634/4885TSHR 1683/4885CYP1A2 328/4885

“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.