SCHEMBL5114079

SCHEMBL5114079

CCCNc1nc2ccccc2n1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
NPC1 O15118 6/20 0.64
LMNA P02545 2/20 0.64
TP53 P04637 3/20 0.60
KMT2A Q03164 2/20 0.60
MAPT P10636 2/20 0.60
HTT P42858 2/20 0.60
ALOX15 P16050 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
HPGD P15428 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 2/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
MAPK1 P28482 3/20 0.56
USP2 O75604 1/20 0.56

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
SCHEMBL12136194 0.86 RAB9A (0.68) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL9698171 0.85 RAB9A (0.62) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL5454201 0.85 ALDH1A1 (0.70) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL6204453 0.85 RAB9A (0.62) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL5458651 0.82 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL9696974 0.79 RAB9A (0.55) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL5811766 0.78 RAB9A (0.62) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL7850067 0.76 RAB9A (0.62) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL10247484 0.75 RAB9A (0.51) RAB9ASMN1; SMN2NPC1LMNATP53
SCHEMBL7952319 0.75 PSMD14 (0.54) RAB9ASMN1; SMN2LMNATP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969577-B2 Curable composition comprising a thermolatent base BASF SE (DE) 2015-03-03 US disclosed
US-20110245375-A1 CURABLE COMPOSITION COMPRISING A THERMOLATENT BASE BASF SE (DE) 2011-10-06 US disclosed
EP-1983992-A2 2-IMINO-BENZIMIDAZOLES Abbott Laboratories (US) 2008-10-29 EP disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 US disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 US disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 US disclosed
WO-2007084728-A2 2-IMINO-BENZIMIDAZOLES ABBOTT LABORATORIES (US) 2007-07-26 WO disclosed
WO-2007084728-A2 2-IMINO-BENZIMIDAZOLES ABBOTT LABORATORIES (US) 2007-07-26 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 (2 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-20110245375-A1 CURABLE COMPOSITION COMPRISING A THERMOLATENT BASE COIL, MAPT, ASH2L RAB9A 1773/4885SMN1; SMN2 1451/4885NPC1 4620/4885
US-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 RAB9A 1111/4885SMN1; SMN2 824/4885NPC1 234/4885

“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.