SCHEMBL12372530

SCHEMBL12372530

COC(=O)C1(C)CCN(Cc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.54
ALDH1A1 P00352 3/20 0.54
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
TSHR P16473 5/20 0.51
CYP3A4 P08684 5/20 0.51
CYP1A2 P05177 2/20 0.47
HPGD P15428 1/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL14081425 0.92 CYP2D6 (0.56) CYP2D6ALDH1A1DRD2DRD4DRD3
SCHEMBL15635627 0.87 KDM4E (0.53) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL4293243 0.85 DRD2 (0.55) CYP2D6ALDH1A1DRD2DRD4DRD3
SCHEMBL17042553 0.84 CYP2D6 (0.55) CYP2D6ALDH1A1TSHRCYP3A4CYP1A2
SCHEMBL14962728 0.82 CYP2D6 (0.53) CYP2D6ALDH1A1TSHRCYP3A4CYP1A2
SCHEMBL14962729 0.82 CYP2D6 (0.53) CYP2D6ALDH1A1TSHRCYP3A4CYP1A2
SCHEMBL2089472 0.82 CYP2D6 (0.53) CYP2D6ALDH1A1TSHRCYP3A4CYP1A2
SCHEMBL2277520 0.82 CYP2D6 (0.56) CYP2D6ALDH1A1TSHRCYP3A4CYP1A2
SCHEMBL14677254 0.82 CYP2D6 (0.53) CYP2D6ALDH1A1TSHRCYP3A4CYP1A2
SCHEMBL2469889 0.82 CYP2D6 (0.50) CYP2D6ALDH1A1TSHRCYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015062486-A1 BIPHENYL COMPOUNDS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-05-07 WO disclosed
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 CYP2D6 2287/4885ALDH1A1 4082/4885DRD2 3196/4885

“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.