SCHEMBL4724938

SCHEMBL4724938

CN(C)c1ccccc1NN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
CHEK1 O14757 1/20 0.43
NEK2 P51955 1/20 0.43
LIMK1 P53667 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
ALDH1A1 P00352 8/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
TSHR P16473 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39

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 SCHEMBL15772883 0.98 KDM1A (0.44) KDM1ACHEK1NEK2LIMK1DYRK1A
SCHEMBL30935911 0.80 KDM1A (0.58) KDM1ACHEK1NEK2LIMK1DYRK1A
SCHEMBL3196135 0.80 KDM1A (0.58) KDM1ACHEK1NEK2LIMK1DYRK1A
SCHEMBL31718394 0.78 KDM1A (0.47) KDM1ACHEK1NEK2LIMK1DYRK1A
SCHEMBL6568199 0.78 KDM1A (0.47) KDM1ACHEK1NEK2LIMK1DYRK1A
Hydrochloric Acid SCHEMBL9938849 0.76 KDM1A (0.55) KDM1ACHEK1NEK2LIMK1DYRK1A
SCHEMBL28289455 0.76 ALDH1A1 (0.37) ALDH1A1MAPTGAATSHRKDM4E
SCHEMBL2942491 0.74 KCNQ2 (0.50) KDM1AALDH1A1MAPTGAATSHR
SCHEMBL9191364 0.73 KDM1A (0.43) KDM1ACHEK1NEK2LIMK1DYRK1A
SCHEMBL14127728 0.73 KDM1A (0.56) KDM1AALDH1A1MAPTGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3756464-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-12-30 EP disclosed
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-09-10 US disclosed
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi BASF SE (DE) 2019-10-15 US disclosed
US-20190016694-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2019-01-17 US disclosed
EP-2468748-B1 Pyrazoloquinolones are potent parp inhibitors ABBVIE INC (US) 2016-05-25 EP disclosed
CN-101421268-B As the pyrazolo quinolone of effective PARP inhibitor ABBVIE (US) 2016-01-06 CN disclosed
WO-2015200634-A1 SOLUBLE, PROCESSABLE POLYHEMIAMINALS AND POLYHEXAHYDROTRIAZINES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-12-30 WO disclosed
US-20140213610-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC. (US) 2014-07-31 US disclosed
EP-1989204-B1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC (US) 2014-05-21 EP disclosed
US-8546368-B2 Pyrazoloquinolones are potent PARP inhibitors ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2468748-A1 Pyrazoloquinolones are potent parp inhibitors Abbott Laboratories (US) 2012-06-27 EP disclosed
CN-101421268-A Pyrazoloquinolones as potent PARP inhibitors ABBOTT LAB (US) 2009-04-29 CN disclosed
EP-1989204-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS Abbott Laboratories (US) 2008-11-12 EP disclosed
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-10-25 US disclosed
WO-2007095628-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-08-23 WO disclosed
EP-0203613-B1 LIGHT-SENSITIVE MATERIAL CONTAINING MICROCAPSULES AND IMAGE-RECORDING METHOD USING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 1989-10-25 EP 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-20190016694-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 KDM1A 2008/4885CHEK1 3452/4885NEK2 67/4885
US-20140213610-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 KDM1A 1374/4885CHEK1 46/4885NEK2 136/4885
US-10442777-B2 Use of substituted oxadiazoles for combating phytopathogenic fungi CYP51A1, DPM1, NOX1 KDM1A 2008/4885CHEK1 3452/4885NEK2 67/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 KDM1A 1374/4885CHEK1 46/4885NEK2 136/4885
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 KDM1A 2008/4885CHEK1 3452/4885NEK2 67/4885

“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.