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Sugi Predict / Compounds / SCHEMBL10280690

SCHEMBL10280690

SCHEMBL10280690

CC(C)(CC1CCC(Oc2ccc(Cl)cc2N)CC1)[Si](C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ HTR2C P28335 5/20 0.36
▸ HTR2B P41595 5/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ RBP4 P02753 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ CCR3 P51677 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL10280688 0.81 SMN1; SMN2 (0.43) MAPTCYP1A2CYP2C9CYP2C19HPGD
SCHEMBL10288767 0.81 MCHR1 (0.36) KCNH2
SCHEMBL31277194 0.80 MAPT (0.50) MAPTHTR2CHTR2BCYP1A2CYP2C9
SCHEMBL357268 0.79 MAPT (0.37) MAPTHTR2CHTR2BHTR2ACYP1A2
SCHEMBL358159 0.79 MAPT (0.37) MAPTHTR2CHTR2BHTR2ACYP1A2
SCHEMBL357267 0.79 MAPT (0.37) MAPTHTR2CHTR2BHTR2ACYP1A2
SCHEMBL359158 0.76 MAPT (0.44) MAPTCYP1A2CYP2C9CYP2C19HPGD
SCHEMBL359550 0.76 IRAK4 (0.45) MAPTHTR2CHTR2BCYP1A2CYP2C9
SCHEMBL16146340 0.74 MAPT (0.45) MAPTHTR2CHTR2BCYP1A2CYP2C9
SCHEMBL359500 0.74 MAPT (0.36) MAPTHTR2CHTR2BHTR2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 — — EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 — — EP disclosed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 — — US disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 — — US disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 — — US disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — 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 (3 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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 MAPT 1941/4885HTR2C 1839/4885HTR2B 1653/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 MAPT 1941/4885HTR2C 1839/4885HTR2B 1653/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 MAPT 1941/4885HTR2C 1839/4885HTR2B 1653/4885

“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.