SCHEMBL22358073

SCHEMBL22358073

Cc1nn(C)c2nc(C(C)(C)C)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
KDM4E B2RXH2 4/20 0.34
CA12 O43570 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.34
ABL1 P00519 1/20 0.34
CA1 P00915 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
SPR P35270 2/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL25091062 0.84 HCRTR1 (0.43) KDM4EMAPTGAAMAPK1NPSR1
SCHEMBL352710 0.79 ADORA2A (0.42) ADORA2AADORA2BKDM4ECA12CA2
SCHEMBL24287321 0.77 FPR1 (0.38) KDM4ELMNAHSD17B10ALDH1A1RAB9A
SCHEMBL24287433 0.76 MEN1 (0.48) KDM4ECA12CA2CA9MAPT
SCHEMBL17673630 0.76 ADORA2A (0.39) ADORA2AADORA2BKDM4ECA12CA2
SCHEMBL20117217 0.76 ADORA2A (0.39) ADORA2AADORA2BKDM4ECA12CA2
SCHEMBL24287500 0.75 NT5E (0.58) KDM4EMAPK1GRNSORT1MEN1
SCHEMBL20116584 0.73 ADORA2A (0.37) ADORA2AADORA2BKDM4ECA12CA2
SCHEMBL17249517 0.73 ADORA2A (0.37) ADORA2AADORA2BKDM4ECA12CA2
SCHEMBL18850744 0.73 ADORA2A (0.37) ADORA2AADORA2BKDM4ECA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 ADORA2A 687/4885ADORA2B 391/4885KDM4E 2853/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ADORA2A 687/4885ADORA2B 391/4885KDM4E 2853/4885

“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.