SCHEMBL3997802

SCHEMBL3997802

CC(C)CNc1nc2ncccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.50
PDE4A P27815 4/20 0.50
PDE4B Q07343 4/20 0.50
PDE4C Q08493 4/20 0.50
PDE4D Q08499 4/20 0.50
NUDT1 P36639 1/20 0.46
RIPK1 Q13546 1/20 0.44
AURKA O14965 3/20 0.43
KMT2A Q03164 1/20 0.42
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL3991737 0.77 RIPK1 (0.45) RIPK1KMT2AHPGDNPC1RAB9A
SCHEMBL989750 0.76 BCHE (0.60) RIPK1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL19378053 0.76 TP53 (0.41) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL19378054 0.76 TP53 (0.41) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL28284325 0.76 TP53 (0.63) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5385517 0.75 NUDT1 (0.49) PDE5ANUDT1METAP2METAP1HPGD
SCHEMBL6248126 0.74 PDE5A (0.44) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9239194 0.74 NUDT1 (0.59) PDE5ANUDT1AURKAKMT2AMETAP2
SCHEMBL31404329 0.74 NUDT1 (0.59) PDE5ANUDT1AURKAKMT2AMETAP2
SCHEMBL5399298 0.74 NUDT1 (0.44) PDE5ANUDT1KMT2AMETAP2METAP1

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-20090318443-A1 KINASE INHIBITORS BONJOUKLIAN ROSANNE 2009-12-24 US disclosed
US-7582652-B2 Suppression cytokines, tumor necrosis factor; melanoma ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
US-20090036445-A1 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-02-05 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 (2 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-20090036445-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 PDE5A 1623/4885PDE4A 1440/4885PDE4B 1593/4885
US-20090318443-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 PDE5A 1623/4885PDE4A 1440/4885PDE4B 1593/4885

“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.