SCHEMBL2848133

SCHEMBL2848133

N#Cc1ccc(NN)cn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.51
AR P10275 1/20 0.45
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.35
EGLN2 Q96KS0 1/20 0.35

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 SCHEMBL551265 0.98 CHEK1 (0.50) CHEK1ARKCNQ3KCNQ2KDM4E
Trifluoroacetic Acid SCHEMBL596488 0.83 AR (0.48) CHEK1ARKCNQ3KCNQ2JAK2
SCHEMBL13002895 0.81 CHEK1 (0.50) CHEK1ARKCNQ3KCNQ2ALDH1A1
SCHEMBL17539186 0.79 CHEK1 (0.53) CHEK1ARKCNQ3KCNQ2ALDH1A1
SCHEMBL5900886 0.78 CHEK1 (0.47) CHEK1ARKCNQ3KCNQ2ALDH1A1
SCHEMBL4528953 0.77 AR (0.49) CHEK1ARKCNQ3KCNQ2GAA
SCHEMBL17108543 0.76 CHEK1 (0.46) CHEK1ARKCNQ3KCNQ2ALDH1A1
SCHEMBL70667 0.76 CHEK1 (0.67) CHEK1ARKCNQ3KCNQ2ALDH1A1
SCHEMBL14185004 0.76 AR (0.51) CHEK1ARKCNQ3KCNQ2
SCHEMBL17883964 0.76 CHEK1 (0.52) CHEK1ARKCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114423748-A Novel heteroaryl triazole compounds as pesticides 拜耳公司 2022-04-29 CN disclosed
WO-2022040157-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-24 WO disclosed
WO-2022040157-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-24 WO disclosed
EP-3087072-A2 SPIROINDOLINE ANTIPARASITIC DERIVATIVES Zoetis Services LLC (US) 2016-11-02 EP disclosed
US-20160296499-A1 Spiroindoline Antiparasitic Derivatives ZOETIS SERVICES LLC 2016-10-13 US disclosed
WO-2015100232-A2 SPIROINDOLINE ANTIPARASITIC DERIVATIVES ZOETIS SERVICES LLC (US) 2015-07-02 WO disclosed
CN-101490040-B 2-pyrazinone derivatives for the treatment of disease or condition in which inhibition of neutrophil elastase activity is beneficial ASTRAZENECA AB 2013-06-12 CN disclosed
EP-2089367-B1 PYRAZOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2011-12-14 EP disclosed
US-20100280016-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2010-11-04 US disclosed
US-20100280016-A1 PYRAZOLINE COMPOUNDS PFIZER INC 2010-11-04 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
CN-101490040-A 2-pyrazinone derivatives for the treatment of disease or condition in which inhibition of neutrophil elastase activity is beneficial ASTRAZENECA AB (SE) 2009-07-22 CN disclosed
EP-1960367-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-08-27 EP disclosed
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents PFIZER, INC (US) 2008-07-10 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 WO disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 WO disclosed
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-23 US disclosed
EP-1426366-A1 THIAZOLIDINE DERIVATIVE AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-06-09 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 (6 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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 CHEK1 4686/4885AR 1803/4885KCNQ3 2158/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 CHEK1 4664/4885AR 2117/4885KCNQ3 2564/4885
US-20160296499-A1 Spiroindoline Antiparasitic Derivatives PKD2, PKD1, AVPR2 CHEK1 4429/4885AR 456/4885KCNQ3 78/4885
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX CHEK1 2629/4885AR 4513/4885KCNQ3 3780/4885
US-20100280016-A1 PYRAZOLINE COMPOUNDS F12, CYP3A7, ABCG2 CHEK1 1477/4885AR 1631/4885KCNQ3 141/4885
US-20080167294-A1 Cardiovascular disorders; liver disorders ; vascular system disorders; antiinflammatory agents; analgesics ; edema; hypotensive agents REN, F3, EDNRB CHEK1 4692/4885AR 2350/4885KCNQ3 278/4885

“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.