SCHEMBL983283

SCHEMBL983283

COCC(=O)N1CCC(NC(=O)c2c[nH]c3c(-c4cc(F)c(OC(F)F)cc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.36
LRRK2 Q5S007 2/20 0.35
PDE4B Q07343 7/20 0.33
PDE4D Q08499 5/20 0.33
PDE4A P27815 4/20 0.33
PDE4C Q08493 4/20 0.33
MAP3K5 Q99683 2/20 0.33
MAP3K6 O95382 1/20 0.33
MCHR1 Q99705 1/20 0.31
DYRK1A Q13627 1/20 0.31
JAK3 P52333 1/20 0.31
MDM4 O15151 1/20 0.31
KDM5A P29375 1/20 0.31

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
SCHEMBL984263 0.94 PDE4D (0.33) PDE4BPDE4DPDE4APDE4CMAP3K5
SCHEMBL984895 0.93 BTK (0.39) BTKLRRK2MAP3K5MAP3K6MCHR1
SCHEMBL981991 0.92 DHODH (0.35) LRRK2PDE4BPDE4DPDE4APDE4C
SCHEMBL984230 0.90 BTK (0.39) BTKLRRK2MAP3K5MAP3K6MCHR1
SCHEMBL981811 0.90 PDE4D (0.35) PDE4BPDE4DPDE4APDE4CMAP3K5
SCHEMBL982545 0.89 MDM4 (0.37) BTKLRRK2MAP3K5MAP3K6DYRK1A
SCHEMBL982596 0.88 MAP3K5 (0.36) BTKLRRK2MAP3K5MAP3K6MCHR1
SCHEMBL983530 0.87 BTK (0.40) BTKMDM4KDM5A
SCHEMBL981954 0.87 BTK (0.40) BTK
SCHEMBL981843 0.87 EPHX2 (0.38) LRRK2MAP3K5MAP3K6MCHR1DYRK1A

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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US claimed
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 BTK 1977/4885LRRK2 4219/4885PDE4B 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.