SCHEMBL2989594

SCHEMBL2989594

Cc1cnccc1C(=O)NN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.50
▸ P2RX7 Q99572 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ SIRT3 Q9NTG7 1/20 0.50
▸ MPO P05164 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ KDM4C Q9H3R0 8/20 0.43
▸ KDM6B O15054 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL1877385 0.85 SIRT3 (0.65) KDM4EP2RX7TDP1CYP1A2CYP3A4
SCHEMBL30674829 0.83 KDM4C (0.49) KDM4ETDP1CYP1A2CYP3A4SIRT3
SCHEMBL13518160 0.82 KDM4E (0.55) KDM4EP2RX7TDP1CYP1A2CYP3A4
SCHEMBL29467545 0.82 ALDH1A1 (0.51) KDM4ETDP1SIRT3ALDH1A1GLA
SCHEMBL24997725 0.79 KDM5A (0.45) KDM4ETDP1SIRT3ALDH1A1GLA
SCHEMBL1423953 0.79 SIRT3 (0.43) KDM4ETDP1SIRT3ALDH1A1GLA
SCHEMBL30064136 0.79 SIRT3 (0.43) KDM4ETDP1SIRT3ALDH1A1GLA
SCHEMBL286483 0.79 TDP1 (0.71) KDM4ETDP1SIRT3ADORA3ALDH1A1
SCHEMBL36668757 0.79 TDP1 (0.71) KDM4ETDP1SIRT3ADORA3ALDH1A1
SCHEMBL1967163 0.79 TDP1 (0.50) KDM4ETDP1CYP1A2CYP3A4SIRT3

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-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 — — US disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 — — US disclosed
CN-107056755-B Five-ring heterocycles amides WNT pathway inhibitor 苏州信诺维医药科技有限公司 2019-02-22 — — CN disclosed
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 — — WO disclosed
CN-107056755-A Five-ring heterocycles amide-type WNT pathway inhibitors 杭州雷索药业有限公司 2017-08-18 — — CN disclosed
US-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS BRIDGE BIORESEARCH RIGHTS (JERSEY) LIMITED (GB) 2010-07-22 — — US disclosed
EP-2068873-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS Pharma 2100 (DK) 2009-06-17 — — EP disclosed
WO-2008031440-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS PHARMA 2100 (DK) 2008-03-20 — — WO 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 (2 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-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS ODC1, OTC, ACACB KDM4E 3169/4885P2RX7 3147/4885TDP1 3641/4885
US-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 KDM4E 3731/4885P2RX7 3064/4885TDP1 3374/4885

“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.

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