SCHEMBL5789341

SCHEMBL5789341

CCN(Cc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.75
CNR2 P34972 8/20 0.62
NR1H2 P55055 1/20 0.56
NR1H3 Q13133 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPK1 P28482 3/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KMT2A Q03164 2/20 0.51
MITF O75030 1/20 0.51
HPGD P15428 1/20 0.51
RAD52 P43351 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
TRPM5 Q9NZQ8 1/20 0.47
ESRRG P62508 1/20 0.46
CNR1 P21554 3/20 0.46
CYP1A2 P05177 1/20 0.45

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
SCHEMBL6621779 0.98 TSHR (0.79) TSHRCNR2NR1H2NR1H3CYP2C19
SCHEMBL2586563 0.88 CYP2C19 (0.64) TSHRCNR2NR1H2NR1H3CYP2C19
SCHEMBL179996 0.86 TSHR (1.00) TSHRCNR2NR1H2NR1H3CYP2C19
SCHEMBL17460822 0.85 TSHR (0.81) TSHRCNR2NR1H2NR1H3CYP2C19
Hydrochloric Acid SCHEMBL3672654 0.84 TSHR (0.96) TSHRCNR2NR1H2NR1H3CYP2C19
Bromide SCHEMBL27967621 0.84 TSHR (0.96) TSHRCNR2NR1H2NR1H3CYP2C19
SCHEMBL12763735 0.83 TSHR (0.78) TSHRCNR2NR1H2NR1H3CYP2C19
SCHEMBL22620087 0.83 TSHR (0.78) TSHRCNR2NR1H2NR1H3CYP2C19
SCHEMBL11735496 0.83 CYP2C19 (0.81) TSHRCNR2NR1H2NR1H3CYP2C19
SCHEMBL4400874 0.83 TSHR (0.78) TSHRCNR2NR1H2NR1H3CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
EP-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 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-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 TSHR 2200/4885CNR2 1858/4885NR1H2 2929/4885

“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.