SCHEMBL12183166

SCHEMBL12183166

CN(C)CCn1cnc2cnc3ccc(I)cc3c21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.44
MAP2K1 Q02750 1/20 0.38
MTOR P42345 1/20 0.37
HTR6 P50406 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
EGFR P00533 3/20 0.34
ATM Q13315 5/20 0.33
SLC6A4 P31645 1/20 0.33
PARP1 P09874 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
SCHEMBL12183066 0.93 PDPK1 (0.43) PDPK1MAP2K1MTORATMSLC6A4
SCHEMBL12182780 0.83 PDPK1 (0.42) PDPK1MAP2K1MTORPDE4APDE4B
SCHEMBL9602829 0.81 PDPK1 (0.44) PDPK1MTORHTR6PDE4APDE4B
SCHEMBL12183222 0.81 PDPK1 (0.41) PDPK1MAP2K1PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL9603162 0.79 PDPK1 (0.43) PDPK1MTORHTR6PDE4APDE4B
SCHEMBL12183127 0.78 MTOR (0.42) PDPK1MTORATM
SCHEMBL12182749 0.71 PDPK1 (0.37) PDPK1ATMPARP1
SCHEMBL6838085 0.69 TLR7 (0.51)
SCHEMBL24381749 0.69 ATM (0.57) MTORATM
SCHEMBL12182782 0.68 JAK1 (0.45) PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895581-B2 1H-imidazo[4,5-c]quinolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-25 US disclosed
US-8895581-B2 1H-imidazo[4,5-c]quinolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-25 US disclosed
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-15 US disclosed
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-15 US disclosed
WO-2011144622-A1 1H - IMIDAZO [4, 5 - C] QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 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-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES MKI67, CCNA1, CCNB1 PDPK1 2768/4885MAP2K1 4408/4885MTOR 1252/4885

“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.