SCHEMBL5010304

SCHEMBL5010304

O=S(=O)(c1ccccc1-c1ccccc1)n1ccc2c(Cl)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.41
SRC P12931 1/20 0.40
MET P08581 2/20 0.36
SLC22A12 Q96S37 1/20 0.35
P2RX7 Q99572 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
CYP2C19 P33261 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
FBP1 P09467 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ACLY P53396 1/20 0.33
AKR1B1 P15121 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL29247906 0.82 RAPGEF4 (0.44) METSLC22A12P2RX7NFE2L2PDE4A
SCHEMBL783771 0.81 CYP2C19 (0.51) HTR6METSLC22A12CYP2C19
SCHEMBL29622363 0.73 KMT2A (0.39) SLC22A12CYP2C19PDE4APDE4BPDE4C
SCHEMBL17711599 0.72 SLC22A12 (0.43) HTR6SLC22A12PDE4APDE4BPDE4C
SCHEMBL30752005 0.71 L3MBTL1 (0.52) HTR6SLC22A12CYP2C19
SCHEMBL1356181 0.71 L3MBTL1 (0.52) HTR6SLC22A12CYP2C19
SCHEMBL3725501 0.69 HTR6 (0.52) HTR6METCYP2C19
SCHEMBL24265268 0.67 SLC22A12 (0.38) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL16271835 0.65 CYP2C19 (0.51) HTR6METCYP2C19
SCHEMBL28212526 0.65 CYP2C19 (0.51) HTR6METCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 US 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-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds BMX, ERBB2, FRK HTR6 2912/4885SRC 6/4885MET 172/4885

“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.