SCHEMBL900876

SCHEMBL900876

Fc1cc[c]cc1OC(F)F

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL534114 0.85 KMT2A (0.33) KMT2A
SCHEMBL900766 0.84 DRD1 (0.30)
SCHEMBL1066799 0.81 PDE2A (0.33) KMT2A
SCHEMBL1476996 0.81 IRAK4 (0.32)
SCHEMBL1065162 0.79
SCHEMBL403016 0.79 ALDH1A1 (0.33) KMT2AHTTSMN1; SMN2
SCHEMBL19611112 0.79
SCHEMBL1067719 0.79
SCHEMBL7683316 0.79 KCNN4 (0.42) KMT2AHTTSMN1; SMN2
SCHEMBL1062938 0.78 PDE4B (0.36) KMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071488-A Substituted 1,2,3- triazole is as NR2B- selective NMDA regulator 詹森药业有限公司 2018-12-21 CN claimed
EP-3983073-A1 SUBSTITUTED PYRAZOLO[4,3-B]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 EP disclosed
CN-113993583-A Substituted pyrazolo [4,3-b ] pyridines and their use as modulators of the GLUN2B receptor 詹森药业有限公司 2022-01-28 CN disclosed
US-11161846-B2 Substituted pyrazolo[4,3-b]pyridines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-11-02 US disclosed
US-20200392130-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 US disclosed
WO-2020249791-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 WO disclosed
CN-109071488-A Substituted 1,2,3- triazole is as NR2B- selective NMDA regulator 詹森药业有限公司 2018-12-21 CN disclosed
EP-2755965-B1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed
CN-102731381-B The polysubstituted aryl of 6-()-4-aminopyridine formic acid esters and the purposes as herbicide thereof 美国陶氏益农公司 2016-08-17 CN disclosed
CN-104080782-B Imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2016-06-01 CN disclosed
CN-101952279-A Azolylmethyloxiranes, use thereof and agents containing the same BASF SE 2011-01-19 CN disclosed
CN-101945580-A Azolylmethyloxiranes, use thereof and compositions comprising them BASF SE 2011-01-12 CN disclosed
WO-2010149758-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2010-12-29 WO disclosed
US-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-16 US disclosed
US-20100311581-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-09 US disclosed
CN-101902914-A Azolylmethyloxiranes, use thereof and compositions comprising same BASF SE 2010-12-01 CN disclosed
US-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-10-28 US disclosed
EP-2234488-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2010-10-06 EP disclosed
WO-2009156951-A2 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-30 WO disclosed
WO-2009077443-A2 AZOLYLMETHYLOXIRANES, USE THEREOF AND AGENTS CONTAINING THE SAME BASF SE (DE) 2009-06-25 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 (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-20200392130-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN3B, GRIN3A KMT2A 2636/4885HTT 945/4885SMN1; SMN2 738/4885
US-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, NOX5, TET1 KMT2A 490/4885HTT 3139/4885SMN1; SMN2 2395/4885
US-11161846-B2 Substituted pyrazolo[4,3-b]pyridines and their use as GluN2B receptor modulators GRIN2B, GRIN3B, GRIN3A KMT2A 2636/4885HTT 945/4885SMN1; SMN2 738/4885
US-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, SQOR, NOX5 KMT2A 538/4885HTT 3721/4885SMN1; SMN2 2481/4885
US-20100311581-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, DAO, DHODH KMT2A 797/4885HTT 3705/4885SMN1; SMN2 2800/4885

“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.