SCHEMBL2115574

SCHEMBL2115574

C[C@H](Nc1ccnc2ccnn12)c1cc2cccc(Cl)c2nc1N1CCN(CCO)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.38
DYRK3 O43781 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
JAK2 O60674 1/20 0.36
TYK2 P29597 1/20 0.36
METAP1 P53582 1/20 0.35
KCNN3 Q9UGI6 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ACHE P22303 3/20 0.35
LMNA P02545 3/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2113140 0.89 TNF (0.39) JAK2KCNN3LMNAKDM4EALDH1A1
SCHEMBL2115716 0.87 PIK3CD (0.35) KCNN3LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL2115352 0.86 CNR2 (0.40) KCNN3ACHEPIK3CD
SCHEMBL2115354 0.86 CNR2 (0.40) KCNN3ACHEPIK3CD
SCHEMBL2117137 0.85 KCNN3 (0.37) KCNN3PIK3CDPIK3R1
SCHEMBL2114304 0.83 MALT1 (0.39) KCNN3
Formic Acid SCHEMBL2114890 0.81 PIK3CD (0.40) CCNT1CDK9KCNN3PIK3CDCDK2
SCHEMBL2112915 0.81 PIK3CD (0.36) KCNN3KDM4EPIK3CDPIK3R1
SCHEMBL2112923 0.81 PIK3CD (0.36) KCNN3KDM4EPIK3CDPIK3R1
SCHEMBL2114094 0.81 PIK3CD (0.36) KCNN3KDM4EPIK3CDPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US claimed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA RAD52 3963/4885DYRK3 1175/4885CCNT1 2033/4885

“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.