SCHEMBL2115716

SCHEMBL2115716

C[C@H](Nc1ccnc2ccnn12)c1cc2cccc(Cl)c2nc1N1CCN(C(=O)CO)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.35
SMO Q99835 1/20 0.35
CNR1 P21554 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
AKT1 P31749 1/20 0.34
KCNN3 Q9UGI6 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DGAT1 O75907 1/20 0.34
P2RX3 P56373 1/20 0.34
PIK3R1 P27986 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 1/20 0.33
MC4R P32245 2/20 0.33
CDK2 P24941 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
SCHEMBL2115352 0.91 CNR2 (0.40) PIK3CDAKT1KCNN3P2RX3
SCHEMBL2115354 0.91 CNR2 (0.40) PIK3CDAKT1KCNN3P2RX3
Formic Acid SCHEMBL2114890 0.89 PIK3CD (0.40) PIK3CDSMOCNR1AKT1KCNN3
SCHEMBL2113140 0.88 TNF (0.39) PIK3CDALDH1A1KDM4EAKT1KCNN3
SCHEMBL2115574 0.87 RAD52 (0.38) PIK3CDALDH1A1KDM4EKCNN3PIK3R1
SCHEMBL2117137 0.87 KCNN3 (0.37) PIK3CDAKT1KCNN3P2RX3PIK3R1
SCHEMBL2114304 0.84 MALT1 (0.39) KCNN3
SCHEMBL2115750 0.84 PIK3CD (0.36) PIK3CDSMOCNR1
SCHEMBL2112923 0.81 PIK3CD (0.36) PIK3CDKDM4EKCNN3PIK3R1
SCHEMBL2112915 0.81 PIK3CD (0.36) PIK3CDKDM4EKCNN3PIK3R1

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 PIK3CD 6/4885SMO 3246/4885CNR1 1770/4885

“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.