SCHEMBL986033

SCHEMBL986033

CCOC(=O)NC1CCC(NC(=O)c2c[nH]c3c(-c4cc(C)ccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.38
CSNK2A1 P68400 2/20 0.38
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
JAK2 O60674 2/20 0.35
JAK3 P52333 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
BTK Q06187 4/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MDM4 O15151 1/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
RIPK2 O43353 1/20 0.33
KDM1A O60341 1/20 0.33
CD38 P28907 1/20 0.33

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
SCHEMBL986034 1.00 CSNK2A2 (0.38) CSNK2A2CSNK2A1KDM2BKDM4CJAK2
SCHEMBL981456 0.92 BTK (0.39) CSNK2A2CSNK2A1JAK2JAK3BTK
SCHEMBL981455 0.92 BTK (0.39) CSNK2A2CSNK2A1JAK2JAK3BTK
SCHEMBL983840 0.92 BTK (0.39) CSNK2A2CSNK2A1JAK2JAK3BTK
SCHEMBL984745 0.91 BTK (0.39) KDM2BKDM4CTAS1R3TAS1R1TAS1R2
SCHEMBL985440 0.91 BTK (0.41) KDM2BKDM4CJAK2JAK3TAS1R3
SCHEMBL985439 0.91 BTK (0.41) KDM2BKDM4CJAK2JAK3TAS1R3
SCHEMBL987097 0.90 CNR1 (0.38) CSNK2A2CSNK2A1JAK2JAK3TAS1R3
SCHEMBL987096 0.90 CNR1 (0.38) CSNK2A2CSNK2A1JAK2JAK3TAS1R3
SCHEMBL984905 0.90 KDM1A (0.42) KDM2BKDM4CTAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US claimed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US claimed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 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 (1 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A CSNK2A2 2177/4885CSNK2A1 2263/4885KDM2B 831/4885

“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.