SCHEMBL981908

SCHEMBL981908

CCOC(=O)c1c[nH]c2c(-c3cc(F)c(OC(F)F)cc3OCC3CC3)ncnc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.40
JAK2 O60674 11/20 0.40
PDE4B Q07343 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE1C Q14123 3/20 0.34

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
SCHEMBL985123 0.91 JAK3 (0.41) JAK3JAK2
SCHEMBL983558 0.89 PDE4B (0.36) PDE4BPDE4APDE4CPDE4D
SCHEMBL984962 0.89 JAK3 (0.40) JAK3JAK2
SCHEMBL985551 0.87 JAK3 (0.41) JAK3JAK2
SCHEMBL983088 0.85 JAK3 (0.46) JAK3JAK2
SCHEMBL984731 0.84 JAK3 (0.45) JAK3JAK2
SCHEMBL983194 0.82 JAK3 (0.38) JAK3JAK2
Hydrochloric Acid SCHEMBL985238 0.82 PDE4D (0.35) PDE4BPDE4APDE4CPDE4D
SCHEMBL986677 0.82 JAK2 (0.43) JAK3JAK2
SCHEMBL981991 0.81 DHODH (0.35) PDE4BPDE4APDE4CPDE4D

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-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A JAK3 1732/4885JAK2 1660/4885PDE4B 7/4885

“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.