SCHEMBL109198

SCHEMBL109198

Cc1cccnc1C(=O)NN

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.59
GAA P10253 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KIT P10721 1/20 0.43
FDPS P14324 2/20 0.43
CTSA P10619 1/20 0.43
EGLN2 Q96KS0 1/20 0.42
FTO Q9C0B1 1/20 0.42
GRM5 P41594 1/20 0.42
MAPT P10636 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL7045677 0.83 HDAC1 (0.46) P2RX7L3MBTL1KMT2AKDM4EALDH1A1
SCHEMBL30695551 0.83 PLK1 (0.46) P2RX7GAAL3MBTL1KMT2AKDM4E
SCHEMBL8568914 0.83 PLK1 (0.46) P2RX7GAAL3MBTL1KMT2AKDM4E
SCHEMBL162188 0.82 L3MBTL1 (0.50) P2RX7L3MBTL1KMT2AKDM4ENOS3
SCHEMBL13310736 0.82 PARP1 (0.48) P2RX7L3MBTL1KMT2AKDM4EKIT
SCHEMBL10517292 0.81 GRM5 (0.45) P2RX7L3MBTL1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL28847816 0.81 L3MBTL1 (0.49) P2RX7L3MBTL1KMT2AKDM4ENOS3
Hydrochloric Acid SCHEMBL6385939 0.81 L3MBTL1 (0.49) P2RX7L3MBTL1KMT2AKDM4ENOS3
Hydrochloric Acid SCHEMBL10707149 0.80 CHEK1 (0.47) P2RX7KMT2AKDM4EFDPSCTSA
SCHEMBL24571662 0.80 CTSA (0.49) L3MBTL1KMT2AKDM4EKITFDPS

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 34 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
US-10821104-B2 Five-membered heterocyclic amides WNT pathway inhibitor Suzhou Sinovent Pharmaceuticals Co., Ltd. (CN) 2020-11-03 US disclosed
EP-3630752-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS Bristol-Myers Squibb Company (US) 2020-04-08 EP disclosed
WO-2018222795-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-06 WO disclosed
US-9868721-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2018-01-16 US disclosed
WO-2017097216-A9 FIVE-MEMBERED HETEROCYCLIC AMIDES WNT PATHWAY INHIBITOR 杭州雷索药业有限公司 2017-11-23 WO disclosed
WO-2017097216-A1 FIVE-MEMBERED HETEROCYCLIC AMIDES WNT PATHWAY INHIBITOR 杭州雷索药业有限公司 2017-06-15 WO disclosed
US-9656998-B2 Intermediates for preparing triazole agonists of the APJ receptor AMGEN INC. (US) 2017-05-23 US disclosed
US-20170042897-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 US disclosed
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 US disclosed
US-6528093-B1 Dissolving leuprorelin in an orgaic solvent of hydrocarbon halides, alkyl ethers or esters and aromatic hydrocarbons along with glycolic acid-lactic acid copolymer; adding a water mixture and desolventizing to form microcapsules TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-04 US disclosed
US-20030039698-A1 SUSTAINED-RELEASE PREPARATION TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-02-27 US disclosed
US-20020173467-A1 Sustained-release preparation TAKEDA CHEMICAL INDUSTRIES, LTD. 2002-11-21 US disclosed
US-20020147150-A1 Sustained-release preparation TAKEDA CHEMICAL INDUSTRIES, LTD. 2002-10-10 US disclosed
EP-0601799-B1 Sustained-release preparation TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-08-08 EP disclosed
EP-1088555-A1 Sustained-release preparation Takeda Chemical Industries, Ltd. (JP) 2001-04-04 EP disclosed
US-5972891-A A MIXTURE COMPRISING AN ACTIVE NONAPEPTIDE OR DECAPEPTIDE AND A BIODEGRADABLE POLYMER HAVING A TERMINAL CARBOXYL GROUP, SHOWING CONSTANT RELEASE OF THE PEPTIDE OVER A LONG TIME TAKEDA CHEMICAL INDUSTRIES, LTD. (FR) 1999-10-26 US disclosed
US-5668111-A POLYPEPTIDE HORMONE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-16 US disclosed
US-5480868-A Sustained-release preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-02 US disclosed
EP-0601799-A1 Sustained-release preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-06-15 EP 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-20030039698-A1 SUSTAINED-RELEASE PREPARATION ARGLU1, NGLY1, NPR1 P2RX7 1906/4885GAA 235/4885L3MBTL1 2820/4885
US-10821104-B2 Five-membered heterocyclic amides WNT pathway inhibitor WNT1, WNT3, WNT3A P2RX7 3229/4885GAA 2510/4885L3MBTL1 2528/4885
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 P2RX7 112/4885GAA 3932/4885L3MBTL1 4796/4885
US-20020173467-A1 Sustained-release preparation ARGLU1, NGLY1, NPR1 P2RX7 1906/4885GAA 235/4885L3MBTL1 2820/4885
US-20020147150-A1 Sustained-release preparation ARGLU1, NGLY1, NPR1 P2RX7 1906/4885GAA 235/4885L3MBTL1 2820/4885
US-20170042897-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 P2RX7 112/4885GAA 3932/4885L3MBTL1 4796/4885

“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.