SCHEMBL184875

SCHEMBL184875

O=S(=O)(c1cc[c]cc1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.40
MMP13 P45452 4/20 0.39
KCNH2 Q12809 4/20 0.38
HTR2C P28335 3/20 0.38
MAPT P10636 1/20 0.35
MMP8 P22894 3/20 0.33
MMP1 P03956 2/20 0.33
CCR6 P51684 1/20 0.33
ADAM17 P78536 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
AKR1C3 P42330 1/20 0.32
CTSS P25774 1/20 0.31
DDIT3 P35638 1/20 0.31

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
SCHEMBL3075967 0.86 LMNA (0.41) HTR2AKCNH2HTR2CPIK3C3
SCHEMBL15516208 0.75 HTR2A (0.39) HTR2AMMP13KCNH2HTR2CMAPT
SCHEMBL518862 0.74 MMP13 (0.43) HTR2AMMP13KCNH2HTR2CMAPT
SCHEMBL2412999 0.73 CA2 (0.48) HTR2AMMP13MMP8MMP1
SCHEMBL518863 0.73 LMNA (0.50) HTR2AMMP13KCNH2HTR2CMMP8
SCHEMBL2410434 0.73 MMP13 (0.43) HTR2AMMP13KCNH2HTR2CMAPT
SCHEMBL5761130 0.73 GAA (0.52) MMP13MAPTMMP8MMP1
SCHEMBL518396 0.73 MMP13 (0.42) HTR2AMMP13KCNH2HTR2CMAPT
SCHEMBL2149410 0.73 TSHR (0.52) HTR2AMMP13MMP8MMP1
SCHEMBL7448566 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590933-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2021-01-06 EP claimed
EP-2638031-B9 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2020-01-08 EP claimed
EP-3124483-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-07-10 EP claimed
EP-2638031-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-10-11 EP claimed
EP-3124483-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-02-01 EP claimed
CN-103313978-B Pyrazole aminopyrimidine derivatives as LRRK2 modulators HOFFMANN LA ROCHE 2015-04-15 CN claimed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US claimed
EP-2638031-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP claimed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US claimed
WO-2012062783-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO claimed
WO-2024002157-A1 INHIBITORS OF FGFR2 AND FGFR3 AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-01-04 WO disclosed
CN-114634483-A Antimitotic amides for the treatment of cancer and proliferative diseases 弗洛斯特生物科技有限公司 2022-06-17 CN disclosed
CN-108473439-B Pyrazolone derivatives as nitroxyl donors 卡尔迪奥克斯尔制药公司 2022-03-15 CN disclosed
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
EP-3590933-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2021-01-06 EP disclosed
US-20120028954-A1 Substituted Pyridine, Pyridazine, Pyrazine And Pyrimidine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
EP-2402327-A1 Acetamide compounds as glucokinase activators, their process and medicinal applications Advinus Therapeutics Private Limited (IN) 2012-01-04 EP disclosed
WO-2011080755-A1 FUSED NITROGEN HETEROCYCLIC COMPOUNDS, PROCESS OF PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-07-07 WO disclosed
WO-2011030139-A1 4- (PYRIMIDIN-2-YL) -PIPERAZINE AND 4- (PYRIMIDIN-2-YL) -PIPERIDINE DERIVATIVES AS GPR119 MODULATORS ASTRAZENECA AB (SE) 2011-03-17 WO disclosed
US-20110065706-A1 Therapeutic Agents 812 ASTRAZENECA AB (SE) 2011-03-17 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 (4 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-20120028954-A1 Substituted Pyridine, Pyridazine, Pyrazine And Pyrimidine Compounds And Methods For Using The Same AK2, PC, PRKAG2 HTR2A 608/4885MMP13 4779/4885KCNH2 2906/4885
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 HTR2A 1601/4885MMP13 4588/4885KCNH2 3835/4885
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 HTR2A 655/4885MMP13 4851/4885KCNH2 1953/4885
US-20110065706-A1 Therapeutic Agents 812 GPR119, GPR84, GPR132 HTR2A 304/4885MMP13 3206/4885KCNH2 1798/4885

“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.