SCHEMBL1877385

SCHEMBL1877385

Cc1ccncc1C(=O)NN

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
KDM4E B2RXH2 4/20 0.50
P2RX7 Q99572 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 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
SMYD3 Q9H7B4 1/20 0.46
MAPK1 P28482 1/20 0.44
TYK2 P29597 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 1/20 0.41

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
SCHEMBL2989594 0.85 KDM4E (0.50) SIRT3TDP1KDM4EP2RX7CYP1A2
SCHEMBL30107188 0.83 SIRT3 (0.61) SIRT3TDP1KDM4ECYP1A2CYP3A4
SCHEMBL13162016 0.83 SIRT3 (0.61) SIRT3TDP1KDM4ECYP1A2CYP3A4
SCHEMBL13518160 0.82 KDM4E (0.55) SIRT3TDP1KDM4EP2RX7CYP1A2
SCHEMBL13162018 0.82 SIRT3 (0.56) SIRT3TDP1P2RX7SMYD3MAPK1
SCHEMBL30138224 0.82 SIRT3 (0.56) SIRT3TDP1P2RX7SMYD3MAPK1
SCHEMBL12946583 0.82 SIRT3 (0.60) SIRT3TDP1KDM4EP2RX7SMYD3
SCHEMBL28859980 0.80 KDM4E (0.48) SIRT3TDP1KDM4EP2RX7CYP1A2
SCHEMBL13162035 0.80 SIRT3 (0.53) SIRT3TDP1KDM4ESMYD3MAPK1
SCHEMBL13162003 0.80 TDP1 (0.53) SIRT3TDP1KDM4EP2RX7SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3388428-B1 FIVE-MEMBERED HETEROCYCLIC AMIDES WNT PATHWAY INHIBITOR SUZHOU SINOVENT PHARMACEUTICALS COMPANY (CN) 2021-08-04 EP disclosed
EP-3300500-B9 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2021-01-13 EP disclosed
EP-3300500-B9 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2021-01-13 EP disclosed
US-10821104-B2 Five-membered heterocyclic amides WNT pathway inhibitor Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) 2020-11-03 US disclosed
EP-3300500-B1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-02-26 EP disclosed
EP-3300500-B1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-02-26 EP disclosed
US-10344016-B2 Bromotriazole intermediates AMGEN INC. (US) 2019-07-09 US disclosed
US-10344016-B2 Bromotriazole intermediates AMGEN INC. (US) 2019-07-09 US disclosed
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES AMGEN INC. (US) 2019-04-04 US disclosed
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES AMGEN INC. (US) 2019-04-04 US disclosed
WO-2016187308-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2016-11-24 WO disclosed
US-20160340336-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2016-11-24 US disclosed
US-20160340336-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2016-11-24 US disclosed
US-7947683-B2 3-(1,2,4-triazol-3-ylalkyl) azabicyclo (3.1.0) hexane derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMTED (GB) 2011-05-24 US 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
US-20090124629-A1 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-05-14 US disclosed
WO-2008031440-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS PHARMA 2100 (DK) 2008-03-20 WO disclosed
EP-1869017-A1 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-12-26 EP disclosed
WO-2006108701-A1 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2006-10-19 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 (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-20090124629-A1 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, HTR3C, TACR2 SIRT3 2065/4885TDP1 2406/4885KDM4E 3100/4885
US-10821104-B2 Five-membered heterocyclic amides WNT pathway inhibitor WNT1, WNT3, WNT3A SIRT3 1039/4885TDP1 4878/4885KDM4E 1435/4885
US-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS ODC1, OTC, ACACB SIRT3 367/4885TDP1 3641/4885KDM4E 3169/4885
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES APH1A, BRDT, APH1B SIRT3 1729/4885TDP1 1103/4885KDM4E 4471/4885
US-10344016-B2 Bromotriazole intermediates APH1A, BRDT, APH1B SIRT3 1729/4885TDP1 1103/4885KDM4E 4471/4885
US-20160340336-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 SIRT3 2447/4885TDP1 3611/4885KDM4E 4515/4885

“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.