SCHEMBL985732

SCHEMBL985732

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.37
JAK3 P52333 3/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
AURKB Q96GD4 1/20 0.37
MAP3K5 Q99683 4/20 0.36
MAP3K6 O95382 3/20 0.36
NTRK1 P04629 1/20 0.35
EGFR P00533 3/20 0.34
DHODH Q02127 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
CD38 P28907 1/20 0.33
LRRK2 Q5S007 1/20 0.33
BTK Q06187 1/20 0.33
HPGDS O60760 1/20 0.33
NPY5R Q15761 1/20 0.33

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
SCHEMBL984654 0.93 EPHX2 (0.37) KDRJAK3JAK2JAK1TYK2
SCHEMBL982064 0.92 MAP3K5 (0.37) KDRMAP3K5MAP3K6EGFRLRRK2
SCHEMBL982137 0.92 MAP3K5 (0.34) JAK3MAP3K5MAP3K6
SCHEMBL985153 0.91 MAP3K5 (0.34) JAK3MAP3K5MAP3K6CD38
SCHEMBL984278 0.90 MAP3K5 (0.37) KDRMAP3K5MAP3K6EGFRLRRK2
SCHEMBL981991 0.90 DHODH (0.35) KDRMAP3K5MAP3K6NTRK1EGFR
SCHEMBL986300 0.89 CDK9 (0.39) MAP3K5MAP3K6IRAK4CD38NPY5R
SCHEMBL982969 0.89 BRD4 (0.39) IRAK4CD38
Hydrochloric Acid SCHEMBL984192 0.88 PTK2 (0.35) KDRMAP3K5MAP3K6DHODHIRAK4
SCHEMBL981875 0.87 MDM4 (0.39) MAP3K5MAP3K6NTRK1LRRK2

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 KDR 2219/4885JAK3 1732/4885JAK2 1660/4885

“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.