SCHEMBL6807697

SCHEMBL6807697

CCc1c(N)c(C(N)=O)nn1CCN1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
KDM4E B2RXH2 7/20 0.37
HTT P42858 1/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
GLA P06280 1/20 0.36
PDE5A O76074 2/20 0.35
CNR2 P34972 3/20 0.35
CNR1 P21554 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R2 O00459 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PIK3R5 Q8WYR1 1/20 0.35
PIK3R3 Q92569 1/20 0.35

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
SCHEMBL6441689 0.90 KDM4E (0.37) CCNA2CDK2CCNA1KDM4EHTT
SCHEMBL6363517 0.82 GAA (0.46) CCNA2CDK2CCNA1KDM4EALDH1A1
SCHEMBL6443736 0.77 NPC1 (0.33) KDM4EHSD17B10ALDH1A1GAAMEN1
SCHEMBL3576811 0.75 ALDH1A1 (0.36) ALDH1A1GAACNR2CNR1
SCHEMBL19615376 0.73 L3MBTL1 (0.41) KDM4EHSD17B10ALDH1A1TSHRGAA
SCHEMBL6443054 0.72 SMN1; SMN2 (0.40) KDM4EHSD17B10ALDH1A1TSHRGAA
SCHEMBL6200869 0.72 ADORA2A (0.35) CCNA2CDK2CCNA1KDM4EHSD17B10
SCHEMBL6806620 0.71 HRH1 (0.39)
SCHEMBL19635653 0.70 PIM1 (0.37) KDM4EALDH1A1TSHRGLAPDE5A
SCHEMBL7003147 0.70 SMN1; SMN2 (0.43) KDM4EHSD17B10ALDH1A1TSHRGAA

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-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US disclosed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 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-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A CCNA2 2100/4885CDK2 2268/4885CCNA1 1206/4885

“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.