SCHEMBL3304374

SCHEMBL3304374

Cc1cc2nccnc2cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL3303469 0.81 EGFR (0.34)
SCHEMBL3307250 0.81 KDM4E (0.42) LPLLIPG
SCHEMBL12374406 0.80 MAPK1 (0.39) MAPK1LPLLIPGP2RX7
SCHEMBL26622502 0.78 MAPK1 (0.38) MAPK1LPLLIPGP2RX7
SCHEMBL3304381 0.78 LPL (0.33) LPLLIPG
SCHEMBL22324411 0.78 EGFR (0.46)
SCHEMBL30074594 0.77 EGFR (0.34) LPLLIPGP2RX7
SCHEMBL25606843 0.77 EGFR (0.34) LPLLIPGP2RX7
SCHEMBL13785154 0.77 MAPK1 (0.37) MAPK1LPLLIPGP2RX7
SCHEMBL29642080 0.76 CLK1 (0.33) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO 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-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT MAPK1 4445/4885LPL 3774/4885LIPG 3175/4885

“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.