SCHEMBL3728033

SCHEMBL3728033

CC(C)(C)OC(=O)NCc1cccc(-c2cncc(Br)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.47
BRD4 O60885 3/20 0.46
CREBBP Q92793 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
NAMPT P43490 3/20 0.44
GLS O94925 3/20 0.44
HDAC1 Q13547 1/20 0.44
CYP3A4 P08684 1/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
EPHX1 P07099 1/20 0.42
CCKBR P32239 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
SCHEMBL3725815 0.87 NAMPT (0.49) DYRK1ASMN1; SMN2NAMPTHDAC1
SCHEMBL30504293 0.84 HDAC1 (0.56) BRD4CREBBPNAMPTGLSHDAC1
SCHEMBL301717 0.82 PRMT6 (0.56) BRD4CREBBPNAMPTGLSHDAC1
SCHEMBL29376317 0.82 DYRK1A (0.56) DYRK1ANAMPTHDAC1CYP3A4CTSB
SCHEMBL20299920 0.82 DYRK1A (0.56) DYRK1ANAMPTHDAC1CYP3A4CTSB
SCHEMBL13999418 0.81 DYRK1A (0.49) DYRK1ASMN1; SMN2NAMPTGLSHDAC1
SCHEMBL18664426 0.81 HDAC1 (0.60) BRD4CREBBPGLSHDAC1CTSB
SCHEMBL5580792 0.81 CTSB (0.46) BRD4CREBBPGLSHDAC1CTSB
SCHEMBL31357646 0.81 CYP4F2 (0.36) SMN1; SMN2CYP3A4CTSBCTSSCTSK
SCHEMBL31357670 0.81 CYP4F2 (0.36) SMN1; SMN2CYP3A4CTSBCTSSCTSK

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-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 DYRK1A 1550/4885BRD4 1304/4885CREBBP 1983/4885

“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.