SCHEMBL16320608

SCHEMBL16320608

O=[C]C1C=Cc2ccccc2N1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL4447233 0.81 MAPT (0.40) GAAMAPT
SCHEMBL4283708 0.74 GAA (0.44) GAAMAPT
SCHEMBL6056252 0.69 GAA (0.44) GAAMAPT
SCHEMBL18562457 0.69 GAA (0.44) GAAMAPT
SCHEMBL5470066 0.69 GAA (0.44) GAAMAPT
SCHEMBL4540870 0.69 GAA (0.44) GAAMAPT
SCHEMBL12159337 0.69 GAA (0.44) GAAMAPT
SCHEMBL6111309 0.69 GAA (0.44) GAAMAPT
SCHEMBL7442660 0.69 GAA (0.44) GAAMAPT
SCHEMBL2464235 0.69 GAA (0.40) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3162799-B1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2021-03-10 EP disclosed
EP-3686182-A1 CHEMICALLY ACTIVATED WATER-SOLUBLE PRODRUG Sumitomo Dainippon Pharma Co., Ltd. (JP) 2020-07-29 EP disclosed
US-20200207782-A1 CHEMICALLY ACTIVATED WATER-SOLUBLE PRODRUG SUMITOMO DAINIPPON PHARMA CO., LTD (JP) 2020-07-02 US disclosed
US-10696640-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2020-06-30 US disclosed
US-20190233380-A1 FLUOROALKYLATING AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-08-01 US disclosed
US-10308613-B2 Fluoroalkylating agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2019-06-04 US disclosed
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US disclosed
US-20170197920-A1 FLUOROALKYLATING AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-13 US disclosed
EP-3162799-A1 FLUOROALKYLATING AGENT Ihara Chemical Industry Co., Ltd. (JP) 2017-05-03 EP disclosed
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 US disclosed
US-9453015-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-9440970-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-13 US disclosed
EP-2963037-A1 NOVEL PYRAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2016-01-06 EP disclosed
US-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US disclosed
US-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-14 US disclosed
US-20150132327-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-14 US disclosed
US-8980888-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 US disclosed
US-8980889-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 US disclosed
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 US disclosed
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 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 (11 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-10308613-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 GAA 1685/4885MAPT 4841/4885
US-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A GAA 221/4885MAPT 75/4885
US-10696640-B2 Fluoroalkylating agent AFF1, AFF4, AFF2 GAA 1685/4885MAPT 4841/4885
US-20200207782-A1 CHEMICALLY ACTIVATED WATER-SOLUBLE PRODRUG NR0B1, CYP4A11, CYP4B1 GAA 2897/4885MAPT 4722/4885
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A GAA 221/4885MAPT 75/4885
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A GAA 221/4885MAPT 75/4885
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A GAA 221/4885MAPT 75/4885
US-20190233380-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 GAA 1685/4885MAPT 4841/4885
US-20170197920-A1 FLUOROALKYLATING AGENT AFF1, AFF4, AFF2 GAA 1685/4885MAPT 4841/4885
US-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A GAA 221/4885MAPT 75/4885
US-20150132327-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A GAA 221/4885MAPT 75/4885

“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.