SCHEMBL982137

SCHEMBL982137

O=C(NC1CCN(C(=O)CO)CC1)c1c[nH]c2c(-c3cc(F)c(O)cc3OCC3CC3)ncnc12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 5/20 0.34
MAP3K6 O95382 3/20 0.34
TBK1 Q9UHD2 6/20 0.33
JAK3 P52333 5/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
SMYD3 Q9H7B4 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
SCHEMBL984654 0.93 EPHX2 (0.37) MAP3K5MAP3K6JAK3
SCHEMBL985732 0.92 KDR (0.37) MAP3K5MAP3K6JAK3
SCHEMBL982596 0.91 MAP3K5 (0.36) MAP3K5MAP3K6CCNT1CDK9
SCHEMBL984263 0.90 PDE4D (0.33) MAP3K5MAP3K6TBK1JAK3
SCHEMBL985153 0.89 MAP3K5 (0.34) MAP3K5MAP3K6TBK1JAK3
SCHEMBL986177 0.89 CCNT1 (0.40) TBK1CCNT1CDK9
SCHEMBL984720 0.87 MDM4 (0.38) MAP3K5MAP3K6CCNT1CDK9
Hydrochloric Acid SCHEMBL984192 0.87 PTK2 (0.35) MAP3K5MAP3K6
SCHEMBL14949557 0.87 TBK1 (0.33) TBK1JAK3
SCHEMBL984895 0.86 BTK (0.39) MAP3K5MAP3K6

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 MAP3K5 1564/4885MAP3K6 2724/4885TBK1 3509/4885

“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.