SCHEMBL28019336

SCHEMBL28019336

NC(=O)c1cnccc1-c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 12/20 0.58
MKNK2 Q9HBH9 11/20 0.58
SIRT3 Q9NTG7 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
SARM1 Q6SZW1 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
SIRT4 Q9Y6E7 1/20 0.52
KMT2A Q03164 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PKN1 Q16512 1/20 0.50
PKN2 Q16513 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2A6 P11509 1/20 0.48

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
SCHEMBL23846485 0.89 BCAT2 (0.61) MKNK1MKNK2SIRT3TDP1KMT2A
SCHEMBL30514275 0.86 BCAT2 (0.67) MKNK1MKNK2SIRT3F7F3
SCHEMBL31227976 0.86 BCAT2 (0.67) MKNK1MKNK2SIRT3F7F3
SCHEMBL167082 0.86 BCAT2 (0.67) MKNK1MKNK2SIRT3F7F3
SCHEMBL25306948 0.85 SIRT3 (0.61) SIRT3TDP1CDC7IKBKB
Hydrochloric Acid SCHEMBL27890957 0.84 BCAT2 (0.65) MKNK1MKNK2SIRT3F7F3
Hydrochloric Acid SCHEMBL30165666 0.84 BCAT2 (0.65) MKNK1MKNK2SIRT3F7F3
SCHEMBL30705023 0.84 MKNK1 (0.56) MKNK1MKNK2TDP1KMT2AALDH1A1
SCHEMBL10364611 0.84 MKNK1 (0.56) MKNK1MKNK2TDP1KMT2AALDH1A1
SCHEMBL7430892 0.82 CYP2A6 (0.48) MKNK1MKNK2SIRT3ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN claimed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN claimed
US-20240287080-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.4) LIMITED (GB) 2024-08-29 US disclosed
EP-3976608-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2022-04-06 EP disclosed
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN disclosed
CN-106536507-A 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use 里格尔药品股份有限公司 2017-03-22 CN disclosed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 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 (1 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-20240287080-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS POLQ, POLK, POLB MKNK1 970/4885MKNK2 1174/4885SIRT3 3943/4885

“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.