SCHEMBL13778254

SCHEMBL13778254

[3H]c1cc2c(C)ccnc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.43
CCR5 P51681 2/20 0.43
CCR8 P51685 2/20 0.43
PRKCI P41743 4/20 0.37
AXL P30530 3/20 0.37
PSMD14 O00487 1/20 0.35
COPS5 Q92905 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NUDT1 P36639 1/20 0.34
RET P07949 3/20 0.33
DYRK1A Q13627 3/20 0.33
ROCK1 Q13464 2/20 0.33
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
DAPK3 O43293 2/20 0.33
JAK2 O60674 2/20 0.33
MAP4K4 O95819 2/20 0.33
PAK4 O96013 2/20 0.33
CSF1R P07333 2/20 0.33
IGF1R P08069 2/20 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
SCHEMBL91443 0.79 PRKCI (0.59) CCR1CCR5CCR8PRKCIAXL
SCHEMBL13778252 0.71 KDM4E (0.51) ALDH1A1SMN1; SMN2
SCHEMBL5676640 0.67 PDE3B (0.53) CCR1CCR5CCR8RETDYRK1A
SCHEMBL855607 0.65 IKBKB (0.48) CCR1CCR5CCR8RETDYRK1A
SCHEMBL2619223 0.65 CHEK1 (0.47) CCR1CCR5CCR8L3MBTL1NUDT1
SCHEMBL12188 0.65 AXL (0.60) AXLRETDYRK1AMAP4K4CDK9
SCHEMBL29372615 0.65 AXL (0.60) AXLRETDYRK1AMAP4K4CDK9
SCHEMBL21620450 0.64 CCR1 (0.43) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL21620452 0.63 CCR1 (0.42) CCR1CCR5CCR8PSMD14COPS5
Dimethylamine SCHEMBL8328446 0.63 GPR84 (0.59) AXLRETDYRK1AMAP4K4CDK9

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-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 CCR1 600/4885CCR5 613/4885CCR8 1396/4885

“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.