SCHEMBL6030286

SCHEMBL6030286

COc1ccc(-c2cnc(SCC(=O)NCC3CCCNC3)nc2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
MAPT P10636 2/20 0.43
ROCK2 O75116 3/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKN2 Q16513 1/20 0.42
SUV39H2 Q9H5I1 1/20 0.42
POLB P06746 2/20 0.42
ATM Q13315 1/20 0.42
RAB9A P51151 1/20 0.41
THRB P10828 1/20 0.41
ACP1 P24666 1/20 0.41
HPGD P15428 1/20 0.40
STK17B O94768 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL6030368 0.88 JAK2 (0.45) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL6029198 0.85 HPGD (0.48) ROCK2MEN1KMT2APKN2SUV39H2
SCHEMBL6030077 0.85 MEN1 (0.52) ROCK2MEN1KMT2APKN2SUV39H2
SCHEMBL6169643 0.83 LMNA (0.46) LMNAMAPTROCK2TSHRMAPK1
SCHEMBL6169178 0.82 LMNA (0.45) LMNAMAPTROCK2TSHRMAPK1
SCHEMBL8180795 0.82 EP300 (0.45) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL7849609 0.82 EP300 (0.45) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL6030480 0.82 LMNA (0.44) LMNAMAPTROCK2TSHRMAPK1
SCHEMBL6030468 0.81 LMNA (0.44) LMNAMAPTROCK2TSHRMAPK1
SCHEMBL6029130 0.81 CCR3 (0.49) LMNATSHRMAPK1MEN1KMT2A

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-6984643-B2 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2006-01-10 US disclosed
EP-1521582-A1 2,5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-04-13 EP disclosed
US-20040014775-A1 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists ROCHE PALO ALTO LLC 2004-01-22 US disclosed
WO-2004004731-A1 2, 5-SUBSTITUTED PYRIMIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS IX F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 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-20040014775-A1 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists CCR3, CCR1, CCRL2 LMNA 3926/4885MAPT 4134/4885ROCK2 4172/4885

“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.