SCHEMBL481904

SCHEMBL481904

CN(C(=O)O)c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
KMT2A Q03164 2/20 0.58
CHRM5 P08912 1/20 0.52
CHKA P35790 1/20 0.52
NAPRT Q6XQN6 1/20 0.44
MLYCD O95822 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
POLQ O75417 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.39
GRM1 Q13255 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL4385687 0.82 KMT2A (0.53) KDM4EKMT2ACHRM5CHKANAPRT
SCHEMBL429504 0.80 KDM4E (0.52) KDM4EKMT2ACHRM5CHKANAPRT
Bicarbonate SCHEMBL9762926 0.79 CHRM5 (0.76) KDM4EKMT2ACHRM5CHKANAPRT
SCHEMBL29123175 0.78 KDM4E (0.82) KDM4EKMT2ACHRM5CHKANAPRT
SCHEMBL455438 0.78 KMT2A (0.53) KDM4EKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL27928038 0.78 MAPT (0.50) KDM4EKMT2ACHRM5CHKAPOLQ
Bicarbonate SCHEMBL28267252 0.77 CHRM5 (0.73) KDM4EKMT2ACHRM5CHKANAPRT
Acetic Acid SCHEMBL7780301 0.77 CHRM5 (0.73) KDM4EKMT2ACHRM5CHKANAPRT
Bicarbonate SCHEMBL28588179 0.77 CHRM5 (0.73) KDM4EKMT2ACHRM5CHKANAPRT
SCHEMBL14192258 0.77 KMT2A (0.49) KDM4EKMT2ACHRM5CHKAMLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3950692-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2022-02-09 EP disclosed
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2021-03-04 US disclosed
WO-2019214399-A1 BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF 罗欣药业(上海)有限公司 (CN) 2019-11-14 WO disclosed
US-RE47221-E1 Tricyclic compounds ABBVIE INC. (US) 2019-02-05 US disclosed
CN-109053742-A New tricyclic compound ABBVIE 公司 2018-12-21 CN disclosed
CN-108774237-A New tricyclic compound ABBVIE 公司 2018-11-09 CN disclosed
CN-104370909-B Tricyclic compound ABBVIE 公司 2018-09-11 CN disclosed
EP-3266786-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2018-01-10 EP disclosed
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110311474-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-12-22 US disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed
CN-101128473-A Adenosine derivatives having a2a receptor activity NOVARTIS AG (CH) 2008-02-20 CN disclosed
US-4426523-A Preparation of 1-amino-1,3,5-triazine-2,4(1H, 3H)-diones BAYER AKTIENGESELLSCHAFT (DE) 1984-01-17 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 (4 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA KDM4E 2244/4885KMT2A 762/4885CHRM5 4294/4885
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 KDM4E 4131/4885KMT2A 3881/4885CHRM5 4065/4885
US-20110311474-A1 Novel Tricyclic Compounds CYP11B2, CYP11B1, ABCB1 KDM4E 4131/4885KMT2A 3881/4885CHRM5 4065/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 KDM4E 2113/4885KMT2A 703/4885CHRM5 4435/4885

“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.