SCHEMBL5784014

SCHEMBL5784014

CN(Cc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.54
NR1H3 Q13133 1/20 0.54
TSHR P16473 3/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
PIK3CD O00329 1/20 0.48
LMNA P02545 1/20 0.48
PIK3R1 P27986 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
AOC3 Q16853 1/20 0.47
PYCR1 P32322 3/20 0.46
CYP2C19 P33261 1/20 0.46
CNR2 P34972 1/20 0.43
PIM1 P11309 1/20 0.43
IP6K1 Q92551 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42

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
SCHEMBL11881187 0.89 NR1H2 (0.62) NR1H2NR1H3TSHRALDH1A1CRHBP
SCHEMBL642317 0.85 CRHBP (0.61) NR1H2NR1H3TSHRALDH1A1CRHBP
Hydrochloric Acid SCHEMBL27388371 0.83 CRHBP (0.59) NR1H2NR1H3TSHRALDH1A1CRHBP
SCHEMBL4403042 0.82 NR1H2 (0.56) NR1H2NR1H3TSHRALDH1A1CRHBP
SCHEMBL8228982 0.82 CYP2C19 (0.68) NR1H2NR1H3TSHRALDH1A1CRHBP
Nitrogen SCHEMBL4600396 0.81 CRHBP (0.58) NR1H2NR1H3TSHRALDH1A1CRHBP
SCHEMBL12844706 0.81 HDAC1 (0.48) TSHRHTTL3MBTL1ALDH1A1PYCR1
SCHEMBL10054994 0.81 CRHBP (0.67) NR1H2NR1H3TSHRHTTL3MBTL1
SCHEMBL8263076 0.80 NR1H2 (0.54) NR1H2NR1H3TSHRALDH1A1CRHBP
SCHEMBL17602279 0.80 NR1H2 (0.58) NR1H2NR1H3TSHRALDH1A1CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818576-B Secondary amine derivative synthesized by rare earth catalysis and preparation method thereof 温州大学 2023-02-24 CN disclosed
CN-113473975-A Process for preparing functionalized cyclooctenes 坦博公司 2021-10-01 CN disclosed
CN-110818576-A Secondary amine derivative synthesized by rare earth catalysis and preparation method thereof 温州大学 2020-02-21 CN disclosed
CN-106748805-B A kind of alkylation of amine 上海科技大学 2019-03-19 CN disclosed
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
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 CN 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
CN-1390219-A Pyrazolopyrimidines as therapeutic agents ABBOTT AG (DE) 2003-01-08 CN 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 NR1H2 2929/4885NR1H3 3437/4885TSHR 2200/4885

“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.