SCHEMBL3722709

SCHEMBL3722709

OCC#Cc1cncc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.48
ALDH1A1 P00352 2/20 0.44
MELK Q14680 1/20 0.44
CHRNB2 P17787 3/20 0.40
CHRNA3 P32297 3/20 0.40
POLB P06746 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 3/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.33
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNA2 Q15822 1/20 0.32

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
SCHEMBL9948053 0.81 GRM5 (0.47) GRM5CHRNB2POLBHCAR2KDM4E
SCHEMBL3802122 0.80 GRM5 (0.44) GRM5CHRNB2CHRNA3POLBHCAR2
SCHEMBL31044591 0.77 GRM5 (0.48) GRM5ALDH1A1MELKCHRNB2CHRNA3
SCHEMBL22031562 0.77 GRM5 (0.48) GRM5ALDH1A1MELKCHRNB2CHRNA3
SCHEMBL29170155 0.77 GRM5 (0.51) GRM5ALDH1A1MELKCHRNB2CHRNA3
SCHEMBL30750480 0.77 GRM5 (0.51) GRM5ALDH1A1MELKCHRNB2CHRNA3
SCHEMBL4284069 0.77 GRM5 (0.55) GRM5ALDH1A1MELKCHRNB2CHRNA3
SCHEMBL32665923 0.77 GRM5 (0.55) GRM5ALDH1A1MELKCHRNB2CHRNA3
SCHEMBL3665917 0.77 CYP2A6 (0.54) GRM5ALDH1A1CHRNB2NPC1RAB9A
SCHEMBL4772674 0.77 GRM5 (0.44) GRM5RAB9AHTTMAPTSMN1; SMN2

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 GRM5 891/4885ALDH1A1 889/4885MELK 3652/4885

“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.