SCHEMBL1534417

SCHEMBL1534417

COc1cccnc1NN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.53
ASIC3 Q9UHC3 1/20 0.53
PLAU P00749 1/20 0.47
KDR P35968 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GFER P55789 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
NSD2 O96028 1/20 0.42
CASP6 P55212 1/20 0.42
G6PD P11413 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL4475478 0.82 GRM5 (0.54) GRM5ASIC3PLAUKDRMEN1
Hydrochloric Acid SCHEMBL28723284 0.80 GRM5 (0.53) GRM5ASIC3PLAUKDRMEN1
Hydrochloric Acid SCHEMBL28720176 0.80 GRM5 (0.53) GRM5ASIC3PLAUKDRMEN1
SCHEMBL22593337 0.80 GRM5 (0.53) GRM5ASIC3PLAUKDRMEN1
SCHEMBL7238803 0.78 NPC1 (0.68) GRM5MAPTKDM4EALDH1A1RAB9A
SCHEMBL13562935 0.77 TRPM8 (0.52) GRM5ASIC3PLAUKDRMEN1
SCHEMBL26575932 0.77 PGK1 (0.50) GRM5ASIC3KDRGFERKDM4E
SCHEMBL16571322 0.77 PLAU (0.49) GRM5ASIC3PLAUKDRMEN1
SCHEMBL19044509 0.77 CYP2C9 (0.50) GRM5MEN1KMT2AMAPTLMNA
SCHEMBL25045421 0.76 GRM5 (0.49) GRM5ASIC3PLAUKDRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11230540-B2 Substituted triazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-01-25 US disclosed
US-11230540-B2 Substituted triazole derivatives and uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-01-25 US disclosed
US-20210179590-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-06-17 US disclosed
US-20210179590-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-06-17 US disclosed
US-11006631-B2 Substituted pyrimidinyloxy pyridine derivatives as herbicides FMC CORPORATION (US) 2021-05-18 US disclosed
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-09-10 US disclosed
EP-3700899-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2020-09-02 EP disclosed
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi BASF SE (DE) 2019-10-15 US disclosed
US-20190144422-A1 HYDROXYALKYL-SUBSTITUTED HETEROARYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2019-05-16 US disclosed
US-20190119251-A1 AMIDE-SUBSTITUTED ARYLTRIAZOLE DERIVATIVES AND USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-04-25 US disclosed
WO-2010076525-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 WO disclosed
EP-2194046-A1 Triazolone derivative Eisai R&D Management Co., Ltd. (JP) 2010-06-09 EP disclosed
CN-101405275-A Triazolone Derivatives EISAI R&D MAN CO LTD (JP) 2009-04-08 CN disclosed
EP-2000465-A1 TRIAZOLONE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-12-10 EP disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US disclosed
US-6552018-B1 As antitumor agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-22 US disclosed
CN-1105707-C Pyrazole derivative DAIICHI SEIYAKU CO (JP) 2003-04-16 CN disclosed
US-6169086-B1 AN ANTITUMOR AGENT FOR TREATING TUMOR RESISTANT TO 5-FLUOROURACIL TYPE DRUGS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-1022270-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-07-26 EP disclosed
CN-1251578-A Pyrazole derivative DAIICHI SEIYAKU CO (JP) 2000-04-26 CN 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-20210179590-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AND USES THEREOF GLS, TNNI3, CYP11B2 GRM5 2171/4885ASIC3 3038/4885PLAU 2465/4885
US-11230540-B2 Substituted triazole derivatives and uses thereof GLS, TNNI3, CYP11B2 GRM5 2171/4885ASIC3 3038/4885PLAU 2465/4885
US-11006631-B2 Substituted pyrimidinyloxy pyridine derivatives as herbicides DDT, CNPY2, NOX4 GRM5 771/4885ASIC3 1835/4885PLAU 4837/4885
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi CYP51A1, DPM1, NOX1 GRM5 1713/4885ASIC3 3340/4885PLAU 4342/4885
US-20190144422-A1 HYDROXYALKYL-SUBSTITUTED HETEROARYLTRIAZOLE DERIVATIVES AND USES THEREOF AADAC, LIPG, HHAT GRM5 2478/4885ASIC3 2532/4885PLAU 1982/4885
US-20190119251-A1 AMIDE-SUBSTITUTED ARYLTRIAZOLE DERIVATIVES AND USES THEREOF AADAC, NAT1, GLS GRM5 1562/4885ASIC3 1294/4885PLAU 2712/4885
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 GRM5 1713/4885ASIC3 3340/4885PLAU 4342/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 GRM5 4465/4885ASIC3 4186/4885PLAU 408/4885

“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.