SCHEMBL1997895

SCHEMBL1997895

Cc1cccc(Cl)c1NN

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
PTGS2 P35354 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
CXCL8 P10145 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LCK P06239 4/20 0.38
LMNA P02545 2/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
Hydrochloric Acid SCHEMBL9545933 0.98 GAA (0.58) GAAPDK1PDK2PDK3PDK4
SCHEMBL1289385 0.83 GAA (0.44) GAAALDH1A1MEN1KMT2AGRIN2D
SCHEMBL1144086 0.83 GAA (0.44) GAAALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL839849 0.80 GAA (0.42) GAAALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL1457203 0.80 CYP3A4 (0.48) GAAALDH1A1MEN1KMT2AMAPT
Bromide SCHEMBL20984793 0.80 GAA (0.42) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL11663384 0.79 GAA (0.52) GAAPDK1PDK2PDK3PDK4
Hydrochloric Acid SCHEMBL21357474 0.78 GAA (0.41) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL11405082 0.77 GAA (0.55) GAAPDK1PDK2PDK3PDK4
SCHEMBL9037897 0.75 GAA (0.66) GAAPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders ARDELYX, INC. (US) 2023-09-12 US disclosed
WO-2023144332-A1 TETRAHYDROPYRANOPYRAZOLE DERIVATIVES FOR THE TREATMENT OF CANCER AND VIRAL INFECTIONS GENASE THERAPEUTICS B.V. (NL) 2023-08-03 WO disclosed
US-8648085-B2 1, 5-dihydro-pyrazolo (3, 4-D) pyrimidin-4-one derivatives and their use as PDE9A mudulators for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648085-B2 1, 5-dihydro-pyrazolo (3, 4-D) pyrimidin-4-one derivatives and their use as PDE9A mudulators for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 US disclosed
EP-2336113-A1 CRTH2 Receptor Ligands for Medical Use 7TM Pharma A/S (DK) 2011-06-22 EP disclosed
US-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
US-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
WO-2009068617-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS FOR THE TEATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO disclosed
EP-1758579-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM Pharma A/S (DK) 2007-03-07 EP disclosed
WO-2005115382-A1 CRTH2 RECEPTOR LIGANDS FOR MEDICINAL USES 7TM PHARMA A/S (DK) 2005-12-08 WO disclosed
US-4448961-A Substituted anilino pyrimidines ZOECON CORPORATION (US) 1984-05-15 US disclosed
US-4411839-A α-Cyano-β-(trisubstituted phenylhydrazino)-n-ethoxycarbonylacrylamides ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4045169-A FLUORESCENT DYES HOECHST AKTIENGESELLSCHAFT (DT) 1977-08-30 US disclosed
US-3957815-A 3-[3',4'-Dichloro-6'-alkyl-phenyl]-Δ2 -pyrazoline derivatives and their use as optical brighteners HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 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 (5 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-20110015193-A1 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MUDULATORS FOR THE TREATMENT OF CNS DISORDERS PDE9A, PDE7A, PDE1C GAA 1687/4885PDK1 618/4885PDK2 758/4885
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses HRH1, HRH2, HRH3 GAA 4427/4885PDK1 2782/4885PDK2 1931/4885
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders NR1H4, FXR1, FXR2 GAA 2703/4885PDK1 1770/4885PDK2 1820/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 GAA 4385/4885PDK1 2929/4885PDK2 2301/4885
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R GAA 4763/4885PDK1 3233/4885PDK2 3293/4885

“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.