SCHEMBL405443

SCHEMBL405443

Cc1ccc(C)c(C(=O)CBr)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TSHR P16473 2/20 0.54
GSK3B P49841 1/20 0.53
MAPT P10636 3/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
MITF O75030 1/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 3/20 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
SCHEMBL29670000 1.00 MEN1 (0.62) MEN1KMT2ATSHRGSK3BMAPT
SCHEMBL30016132 0.84 GSK3B (0.59) MEN1KMT2AGSK3BMAPTTP53
SCHEMBL1434608 0.84 GSK3B (0.59) MEN1KMT2AGSK3BMAPTTP53
SCHEMBL3233653 0.82 CSNK2A1 (0.60) MEN1KMT2ATSHRGSK3BMAPT
SCHEMBL16523497 0.82 GSK3B (0.48) MEN1KMT2ATSHRGSK3BMAPT
SCHEMBL31602938 0.82 CSNK2A1 (0.60) MEN1KMT2ATSHRGSK3BMAPT
SCHEMBL31693367 0.82 MEN1 (0.65) MEN1KMT2ATSHRMAPTTP53
SCHEMBL9720686 0.82 MEN1 (0.65) MEN1KMT2ATSHRMAPTTP53
SCHEMBL29925088 0.81 GSK3B (0.50) MEN1KMT2ATSHRGSK3BMAPT
SCHEMBL9901510 0.81 RAB9A (0.50) MEN1KMT2AGSK3BMAPTALDH1A1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2024-05-09 US disclosed
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2022-12-08 US disclosed
CN-109320458-B Diaryl imidazole-containing compound, preparation method and medical application thereof 中国药科大学 2022-05-31 CN disclosed
EP-3670514-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2020-06-24 EP disclosed
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2020-04-28 US disclosed
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2019-09-10 US disclosed
US-10392381-B2 Prevention and treatment of non-alcoholic fatty liver disease OHIO UNIVERSITY (US) 2019-08-27 US disclosed
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2018-07-17 US disclosed
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2018-07-17 US disclosed
EP-3333169-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2018-06-13 EP disclosed
WO-2011003065-A2 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2011-01-06 WO disclosed
WO-2010051549-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-05-06 WO disclosed
US-6448265-B1 CORTICOTROPIN RELEASING FACTOR(CRF); ANTIDEPRESSANT; (5-AMINO-1-(2,6-DICHLORO-4-TRIFLUOROMETHYLPHENYL)-3-METHYLSULFANYL-1H -PYRAZOL-4-YL)-(2,5-DIMETHYLPHENYL)METHANONE FOR EXAMPLE PFIZER, INC. 2002-09-10 US disclosed
US-6441018-B2 TREATMENT OF A WIDE RANGE OF DISEASES INCLUDING STRESS-RELATED ILLNESSES. PFIZER INC. 2002-08-27 US disclosed
US-20020049227-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY FARACI WILLIAM STEPHAN (US) 2002-04-25 US disclosed
US-20020016333-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY FARACI WILLIAM STEPHEN (US) 2002-02-07 US disclosed
US-6103900-A CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST WHICH TREAT STRESS-INDUCED DISEASES PFIZER INC (US) 2000-08-15 US disclosed
US-6005109-A CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY; EFFECTIVE IN THE TREATMENT OF A WIDE RANGE OF DISEASES INCLUDING STRESS-RELATED ILLNESSES PFLIZER INC. (US) 1999-12-21 US disclosed
EP-0674624-B1 PYRAZOLES HAVING CRF ANTAGONIST ACTIVITY PFIZER (US) 1999-01-20 EP disclosed
US-5712303-A ANTIDEPRESSANTS PFIZER INC. (US) 1998-01-27 US 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 (8 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-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 MEN1 2088/4885KMT2A 1561/4885TSHR 932/4885
US-20020016333-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY CRH, CRHR1, CRHR2 MEN1 2637/4885KMT2A 4103/4885TSHR 232/4885
US-10392381-B2 Prevention and treatment of non-alcoholic fatty liver disease FABP1, LIPC, SLC10A1 MEN1 4206/4885KMT2A 4190/4885TSHR 2168/4885
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 MEN1 1971/4885KMT2A 4627/4885TSHR 23/4885
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 MEN1 2088/4885KMT2A 1561/4885TSHR 932/4885
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 MEN1 1988/4885KMT2A 4617/4885TSHR 23/4885
US-20020049227-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY CRH, CRHR1, CRHR2 MEN1 2637/4885KMT2A 4103/4885TSHR 232/4885
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling FGFR1, TYRO3, STAT6 MEN1 1937/4885KMT2A 4554/4885TSHR 14/4885

“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.