SCHEMBL6776697

SCHEMBL6776697

CCc1c(N)c(C(N)=O)nn1CC1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 2/20 0.34
RET P07949 2/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.32
LCK P06239 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
PDPK1 O15530 1/20 0.31
CDK2 P24941 1/20 0.31
CRHR1 P34998 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 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
SCHEMBL6443736 0.81 NPC1 (0.33) LMNALCKALDH1A1
SCHEMBL6806620 0.80 HRH1 (0.39) KCNH2
SCHEMBL6629620 0.80 SMN1; SMN2 (0.38) SRCKCNH2RETCNR1CNR2
SCHEMBL3576811 0.73 ALDH1A1 (0.36) CNR1CNR2ALDH1A1
SCHEMBL6200869 0.73 ADORA2A (0.35) LMNAALDH1A1CDK2
SCHEMBL6807697 0.72 CCNA2 (0.37) CNR1CNR2ALDH1A1MAPTCDK2
SCHEMBL6442051 0.71 PTGDR2 (0.46) ALDH1A1
SCHEMBL6359388 0.70
SCHEMBL6358569 0.69 PDE5A (0.39)
SCHEMBL5827229 0.68 ADRA1D (0.40) LMNAALDH1A1L3MBTL1CDK2

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 3 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-6756373-B1 SUCH AS 5-(2-BUTOXY-5-IODO-3-PYRIDINYL)-3-ETHYL-2-(2-METHOXY-ETHYL)-2,6-DIHYDRO-7H -PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; ERECTILE DYSFUNCTION PFIZER INC. 2004-06-29 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 SRC 4042/4885KCNH2 1192/4885LMNA 2151/4885

“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.