SCHEMBL17870542

SCHEMBL17870542

CN(O)C(=O)c1nn(C(C)(C)C)c2c1CN(C(=O)O)CC2

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL17870546 0.89 BRD4 (0.30) BRD4CREBBP
SCHEMBL17868657 0.79 MTHFD2 (0.34) MTHFD2BRD4CREBBP
SCHEMBL17868640 0.78 SPTLC1 (0.33) MTHFD2BRD4CREBBP
SCHEMBL22069455 0.76
SCHEMBL17868683 0.74 MTHFD2 (0.31) MTHFD2
SCHEMBL17868585 0.73 SPTLC1 (0.33) CREBBP
SCHEMBL17868666 0.72 CREBBP (0.33) BRD4CREBBP
SCHEMBL17868675 0.72 MTHFD2 (0.30) MTHFD2
SCHEMBL17868725 0.72 CREBBP (0.32) BRD4CREBBP
SCHEMBL20525248 0.72 CREBBP (0.32) MTHFD2BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556904-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2020-02-11 US disclosed
US-20190194191-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2019-06-27 US disclosed
US-10189835-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2019-01-29 US disclosed
US-20180127415-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2018-05-10 US disclosed
US-9890161-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-02-13 US disclosed
US-20170121329-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-05-04 US disclosed
US-9527845-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-12-27 US disclosed
US-20160185777-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 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 (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-10189835-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS MTHFD2 2465/4885BRD4 1214/4885CREBBP 134/4885
US-20170121329-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS MTHFD2 2465/4885BRD4 1214/4885CREBBP 134/4885
US-20160185777-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS MTHFD2 2465/4885BRD4 1214/4885CREBBP 134/4885
US-10556904-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS MTHFD2 2465/4885BRD4 1214/4885CREBBP 134/4885
US-20180127415-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS MTHFD2 2465/4885BRD4 1214/4885CREBBP 134/4885
US-20190194191-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS MTHFD2 2465/4885BRD4 1214/4885CREBBP 134/4885

“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.