SCHEMBL983983

SCHEMBL983983

COc1cc(OCC2CC2)c(-c2ncnc3c(C(=O)N[C@H]4CC[C@H](N)CC4)c[nH]c23)cc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.43
MAP3K5 Q99683 2/20 0.35
MAP3K6 O95382 1/20 0.35
KDM1A O60341 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
PTK2 Q05397 1/20 0.34
LRRK2 Q5S007 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
AXL P30530 1/20 0.33
PDE4B Q07343 2/20 0.33
PDE5A O76074 1/20 0.33
RIPK2 O43353 1/20 0.33
PDE4D Q08499 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
SCHEMBL984226 0.93 LRRK2 (0.40) BTKMAP3K5MAP3K6PTK2LRRK2
SCHEMBL983483 0.92 BTK (0.35) BTKMAP3K5MAP3K6PTK2LRRK2
SCHEMBL985437 0.91 BTK (0.37) BTKMAP3K5MAP3K6PTK2LRRK2
Hydrochloric Acid SCHEMBL985105 0.91 PTK2 (0.40) KDM1APTK2HTR2AHTR2CHTR2B
SCHEMBL982398 0.90 BTK (0.34) BTKMAP3K5MAP3K6PTK2LRRK2
SCHEMBL981748 0.89 BTK (0.39) BTKLRRK2PDE4BRIPK2
SCHEMBL985449 0.89 BTK (0.35) BTKMAP3K5MAP3K6PTK2LRRK2
SCHEMBL981750 0.89 BTK (0.39) BTKLRRK2PDE4BRIPK2
SCHEMBL982064 0.89 MAP3K5 (0.37) BTKMAP3K5MAP3K6LRRK2
SCHEMBL986220 0.88 PTK2 (0.40) KDM1APTK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1977/4885MAP3K5 1564/4885MAP3K6 2724/4885

“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.