SCHEMBL5528653

SCHEMBL5528653

Cc1nc2ccccc2c2[nH]cnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.48
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
NUDT1 P36639 1/20 0.44
HSD17B10 Q99714 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
UHRF1 Q96T88 1/20 0.44
JAK2 O60674 1/20 0.41
PDPK1 O15530 2/20 0.41
PARP1 P09874 3/20 0.41
TNKS2 Q9H2K2 2/20 0.41
CA12 O43570 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA9 Q16790 1/20 0.41
PDE10A Q9Y233 1/20 0.40
ABL1 P00519 1/20 0.40
RAD52 P43351 1/20 0.40

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
SCHEMBL311169 0.79 JAK2 (0.41) ALDH1A1CYP1A2HPGDHSD17B10JAK2
SCHEMBL212131 0.79 TLR7 (0.44) ALDH1A1HPGDNUDT1HSD17B10OPRM1
SCHEMBL9076301 0.79 SMN1; SMN2 (0.41) ALDH1A1HPGDHSD17B10JAK2PDPK1
SCHEMBL487627 0.79 MAOA (0.42) ALDH1A1HPGDHSD17B10JAK2PDPK1
SCHEMBL487415 0.79 ALDH1A1 (0.44) ALDH1A1CYP1A2HPGDHSD17B10JAK2
SCHEMBL29694218 0.79 TLR7 (0.44) ALDH1A1HPGDNUDT1HSD17B10OPRM1
SCHEMBL5507881 0.79 SMN1; SMN2 (0.41) ALDH1A1HPGDHSD17B10JAK2PDPK1
SCHEMBL7072625 0.79 SMN1; SMN2 (0.41) ALDH1A1HPGDHSD17B10JAK2PDPK1
SCHEMBL28506044 0.79 TSHR (0.43) ALDH1A1CYP1A2HPGDNUDT1HSD17B10
SCHEMBL28312743 0.79 TLR7 (0.44) ALDH1A1HPGDNUDT1HSD17B10OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011599-B2 Compounds and compositions as inhibitors of MEK NOVARTIS AG (CH) 2018-07-03 US disclosed
US-20170183348-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF MEK NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-06-29 US disclosed
US-20070166384-A1 Methods , composition and preparations for delivery of immune response modifiers 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
EP-0329073-B1 2-Substituted carbonylimidazo[4,5-c]quinolines SHIONOGI & CO (JP) 1994-12-28 EP disclosed
EP-0310950-B1 Quinoline intermediates for the synthesis of 1H-imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amimes RIKER LABORATORIES, INC. (US) 1993-01-13 EP disclosed
US-4940714-A 2-substituted carbonylimidazo[4,5-c]quinolines SHIONOGI & CO., LTD. (JP) 1990-07-10 US disclosed
EP-0145340-B1 1H-Imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amines RIKER LABORATORIES, INC. (US) 1990-01-24 EP disclosed
EP-0329891-A2 End-functionalized low molecular weight polymers of ethylene PETROLITE CORPORATION (US) 1989-08-30 EP disclosed
EP-0329073-A2 2-Substituted carbonylimidazo[4,5-c]quinolines SHIONOGI & CO., LTD. (JP) 1989-08-23 EP disclosed
EP-0310950-A1 Quinoline intermediates for the synthesis of 1H-imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amimes RIKER LABORATORIES, INC. (US) 1989-04-12 EP disclosed
US-4698348-A 1H-imidazo[4,5-c]quinolines and their use as bronchodilating agents RIKER LABORATORIES, INC. (US) 1987-10-06 US disclosed
US-4689338-A 1H-Imidazo[4,5-c]quinolin-4-amines and antiviral use RIKER LABORATORIES, INC. (US) 1987-08-25 US disclosed
EP-0145340-A2 1H-Imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amines RIKER LABORATORIES, INC. (US) 1985-06-19 EP 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 (3 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-10011599-B2 Compounds and compositions as inhibitors of MEK NRAS, BRAF, KRAS GPR3 3384/4885ALDH1A1 2338/4885CYP1A2 1232/4885
US-20170183348-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF MEK NRAS, BRAF, KRAS GPR3 3384/4885ALDH1A1 2338/4885CYP1A2 1232/4885
US-20070166384-A1 Methods , composition and preparations for delivery of immune response modifiers TLR3, MYD88, IFNG GPR3 1942/4885ALDH1A1 3571/4885CYP1A2 3511/4885

“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.