SCHEMBL2281019

SCHEMBL2281019

COC(=O)NC(Cc1ccccc1)C1(C)CCNC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
ITGB1 P05556 5/20 0.38
ITGA4 P13612 5/20 0.38
ITGB7 P26010 5/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
THRB P10828 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 3/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL2281947 0.89 ATM (0.48) ATMALDH1A1KMT2A
SCHEMBL2277428 0.78 ITGB1 (0.36) ITGB1ITGA4ITGB7POLBMEN1
SCHEMBL4511214 0.74 ATM (0.48) ATMALDH1A1KMT2A
SCHEMBL4502732 0.74 ATM (0.45) ATMKMT2A
SCHEMBL4517498 0.73 ATM (0.47) ATMCYP3A4MEN1KMT2A
SCHEMBL2348792 0.71 ATM (0.50) ATMALDH1A1KMT2A
SCHEMBL6295802 0.68 ATM (0.68) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL7806984 0.68 ATM (0.68) ATMALDH1A1CYP2C9CYP2C19THRB
SCHEMBL10948969 0.68 NPC1 (0.71) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL15116559 0.68 NPC1 (0.71) ALDH1A1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP 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 ATM 786/4885ITGB1 4152/4885ITGA4 4301/4885

“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.