SCHEMBL10044576

SCHEMBL10044576

Cc1c[nH]c2ncccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.53
KMT2A Q03164 1/20 0.53
GPR84 Q9NQS5 1/20 0.51
MAP2K1 Q02750 1/20 0.51
ADORA2A P29274 1/20 0.49
LRRK2 Q5S007 1/20 0.49
DYRK1A Q13627 2/20 0.47
MET P08581 2/20 0.46
MTNR1A P48039 1/20 0.46
CAMKK2 Q96RR4 2/20 0.44
TGFBR1 P36897 2/20 0.44
PDPK1 O15530 1/20 0.44
IKBKE Q14164 1/20 0.44
AURKA O14965 1/20 0.43
PARP1 P09874 1/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
RET P07949 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 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
SCHEMBL29372615 0.85 AXL (0.60) AXLKMT2AGPR84MAP2K1LRRK2
SCHEMBL12188 0.85 AXL (0.60) AXLKMT2AGPR84MAP2K1LRRK2
Dimethylamine SCHEMBL8328446 0.81 GPR84 (0.59) AXLKMT2AGPR84MAP2K1LRRK2
SCHEMBL11883907 0.77 MAP2K1 (0.61) AXLKMT2AGPR84MAP2K1ADORA2A
SCHEMBL2114977 0.75 ADORA2A (0.67) AXLKMT2AGPR84MAP2K1ADORA2A
SCHEMBL28164021 0.74 MAP2K1 (0.81) AXLKMT2AMAP2K1ADORA2AMTNR1A
SCHEMBL2638921 0.74 ADORA2A (0.70) AXLKMT2AGPR84MAP2K1ADORA2A
SCHEMBL1665308 0.74 MEN1 (0.67) KMT2AMAP2K1ADORA2A
SCHEMBL1820660 0.73 ADORA2A (0.61) AXLKMT2AGPR84MAP2K1ADORA2A
Hydrochloric Acid SCHEMBL10655021 0.73 ADORA2A (0.65) AXLKMT2AGPR84MAP2K1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US disclosed
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 US disclosed
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-21 US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US disclosed
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US disclosed
WO-2008116139-A2 N-HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-25 WO disclosed
EP-1309565-B1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2008-04-09 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 (4 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-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 AXL 3550/4885KMT2A 1797/4885GPR84 3768/4885
US-20120157429-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 AXL 724/4885KMT2A 1174/4885GPR84 4152/4885
US-20100160287-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 AXL 724/4885KMT2A 1174/4885GPR84 4152/4885
US-20140221336-A1 COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASES JAK2, JAK1, JAK3 AXL 724/4885KMT2A 1174/4885GPR84 4152/4885

“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.