SCHEMBL6793353

SCHEMBL6793353

O=C(O)c1nn(C2CCNCC2)c2c1CCC1=C2CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.35
PIK3R2 O00459 3/20 0.35
PIK3CA P42336 3/20 0.35
PIK3CB P42338 3/20 0.35
PIK3CG P48736 3/20 0.35
PIK3R5 Q8WYR1 3/20 0.35
PIK3R3 Q92569 3/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
NSD3 Q9BZ95 1/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32
AURKA O14965 1/20 0.32
PLK1 P53350 1/20 0.32
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CYP2D6 P10635 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL6789505 0.82 SMN1; SMN2 (0.41) MEN1CYP2D6KMT2A
SCHEMBL6790555 0.77 CCNA2 (0.40) CCNA2CDK2CCNA1AURKAPLK1
Hydrochloric Acid SCHEMBL6792575 0.75 PIK3CD (0.39) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL6793350 0.74 PIK3CD (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL6798193 0.67 ALDH1A1 (0.41) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL6793588 0.66 CCNA2 (0.53) CCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL6797412 0.66 CCNA2 (0.52) CCNA2CDK2CCNA1
SCHEMBL6788861 0.65 CCNA2 (0.37) CCNA2CDK2CCNA1MEN1LMNA
SCHEMBL12542 0.65 PIK3CD (0.72) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL11972058 0.62 HCAR2 (0.46) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 PIK3CD 182/4885PIK3R2 505/4885PIK3CA 167/4885

“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.