SCHEMBL3801241

SCHEMBL3801241

COc1cccc(-c2cncc(B3OC(C)(C)C(C)(C)O3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP11B2 P19099 5/20 0.44
CYP11B1 P15538 4/20 0.44
SNCA P37840 1/20 0.43
LPL P06858 2/20 0.42
LIPG Q9Y5X9 2/20 0.42
CYP19A1 P11511 2/20 0.42
CYP17A1 P05093 2/20 0.42
NPY5R Q15761 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL3663224 0.85 SNCA (0.48) CYP1A2CYP3A4CYP2C9NPC1CYP2C19
SCHEMBL16478886 0.85 CYP1A1 (0.47) CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL3796275 0.82 LIPG (0.62) MAPTCYP11B2CYP11B1LPLLIPG
SCHEMBL15496389 0.80 LPL (0.47) CYP1A2CYP3A4TP53MAPTSMN1; SMN2
SCHEMBL21823649 0.80 FPR2 (0.46) NPC1MAPTRAB9ASMN1; SMN2SNCA
SCHEMBL182869 0.78 SNCA (0.42) CYP1A2CYP3A4CYP2C9CYP11B2CYP11B1
SCHEMBL29487604 0.78 SNCA (0.42) CYP1A2CYP3A4CYP2C9CYP11B2CYP11B1
SCHEMBL21290175 0.78 DGAT1 (0.56) CYP1A2CYP3A4CYP2C9NPC1TP53
SCHEMBL3798360 0.78 LIPG (0.49) CYP11B2CYP11B1LPLLIPGPDGFRB
SCHEMBL3797726 0.78 LIPG (0.40) LPLLIPGPDGFRBKDRDYRK1A

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 CYP1A2 871/4885CYP3A4 111/4885CYP2C9 1217/4885

“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.