SCHEMBL3671385

SCHEMBL3671385

Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)ccc1-c1cncc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.41
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
RORC P51449 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2A6 P11509 1/20 0.35
PKM P14618 1/20 0.35
NAMPT P43490 1/20 0.34
SLC2A1 P11166 1/20 0.34
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
LCK P06239 1/20 0.33

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
SCHEMBL3671026 0.86 CYP1A2 (0.41) AAK1HDAC1CYP1A2CYP3A4CYP2C19
SCHEMBL3666272 0.83 CYP17A1 (0.38) AAK1CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL3665810 0.80 CYP11B1 (0.41) AAK1CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL3802109 0.79 AAK1 (0.41) AAK1KDM1AHDAC1NAMPTSLC2A1
SCHEMBL3668970 0.76 AAK1 (0.43) AAK1SMN1; SMN2PKMNPC1ALDH1A1
SCHEMBL31303018 0.74 CNR1 (0.49) CYP3A4NAMPTSLC2A1HTTRAB9A
SCHEMBL3378929 0.73 CYP17A1 (0.56) HDAC1RORCNAMPTALDH1A1
SCHEMBL4150473 0.73 TGFBR1 (0.42) AAK1KDM1AHDAC1CYP3A4
SCHEMBL1141998 0.73 NPC1 (0.51) AAK1CYP2C19CYP2C9SMN1; SMN2NPC1
SCHEMBL22489832 0.73 FFAR1 (0.40) AAK1NAMPTSLC2A1ALDH1A1RAB9A

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 AAK1 1365/4885KDM1A 1272/4885HDAC1 3723/4885

“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.