SCHEMBL2455602

SCHEMBL2455602

CC1(C)CNc2cc3[nH]c(-c4ccncc4)nc3cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
PDE3B Q13370 1/20 0.57
PDE3A Q14432 1/20 0.57
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
RHEB Q15382 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
GUSB P08236 1/20 0.46
PKN1 Q16512 5/20 0.46

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
SCHEMBL2455601 0.95 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10555120 0.88 NPC1 (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
Hydrochloric Acid SCHEMBL10555631 0.88 NPC1 (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10559564 0.87 NPBWR1 (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10556845 0.85 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10558722 0.85 MAPT (0.62) PDE4APDE4BPDE4CPDE4DPDE3B
Hydrochloric Acid SCHEMBL10560128 0.85 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10556840 0.84 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10558646 0.83 SCD (0.53) SCD
Hydrochloric Acid SCHEMBL9378114 0.81 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B

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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
US-4863945-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF PDE4A 106/4885PDE4B 122/4885PDE4C 95/4885

“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.