SCHEMBL5528658

SCHEMBL5528658

Cn1cnc2cnc3ccccc3c21

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
GPR3 P46089 1/20 0.42
ACVR1 Q04771 2/20 0.41
TLR7 Q9NYK1 1/20 0.40
DPP4 P27487 3/20 0.39
DPP8 Q6V1X1 2/20 0.39
GRM5 P41594 1/20 0.38
PDE10A Q9Y233 1/20 0.38
IP6K1 Q92551 1/20 0.38
HSD17B10 Q99714 2/20 0.37
PABPC1 P11940 1/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
HPGD P15428 1/20 0.37
USP5 P45974 1/20 0.36

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
SCHEMBL10734628 0.85 RAB9A (0.37) ACVR1TLR7DPP4DPP8PDE10A
SCHEMBL204996 0.78 KDM4E (0.42) KDM4EGPR3HSD17B10HPGDUSP5
SCHEMBL4703998 0.78 KDM4E (0.42) KDM4EGPR3HSD17B10HPGDUSP5
SCHEMBL5823463 0.78 KDM4E (0.42) KDM4EGPR3TLR7HSD17B10HPGD
SCHEMBL5092806 0.78 KDM4E (0.42) KDM4EGPR3HSD17B10HPGD
SCHEMBL9207616 0.77 HTR1A (0.41) IP6K1
SCHEMBL8721713 0.77 KDM4E (0.39) KDM4EGPR3TLR7HSD17B10HPGD
SCHEMBL2707327 0.77 KDM4E (0.39) KDM4EGPR3TLR7HSD17B10HPGD
SCHEMBL9601955 0.77 SMN1; SMN2 (0.42) KDM4EGPR3TLR7
SCHEMBL1486425 0.76 KDM4E (0.41) KDM4EGPR3HSD17B10HPGDUSP5

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-10039753-B2 Imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives as LRRK2 inhibitors PFIZER INC. (US) 2018-08-07 US disclosed
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-20170073343-A1 Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors PFIZER INC. (US) 2017-03-16 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
US-4940714-A 2-substituted carbonylimidazo[4,5-c]quinolines SHIONOGI & CO., LTD. (JP) 1990-07-10 US disclosed
EP-0329073-A2 2-Substituted carbonylimidazo[4,5-c]quinolines SHIONOGI & CO., LTD. (JP) 1989-08-23 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 (5 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-20170073343-A1 Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors LRRK2, PARK7, SNCA KDM4E 1323/4885GPR3 1281/4885ACVR1 3170/4885
US-10039753-B2 Imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives as LRRK2 inhibitors LRRK2, PARK7, SNCA KDM4E 1167/4885GPR3 1252/4885ACVR1 2875/4885
US-10011599-B2 Compounds and compositions as inhibitors of MEK NRAS, BRAF, KRAS KDM4E 991/4885GPR3 3384/4885ACVR1 1833/4885
US-20170183348-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF MEK NRAS, BRAF, KRAS KDM4E 991/4885GPR3 3384/4885ACVR1 1833/4885
US-20070166384-A1 Methods , composition and preparations for delivery of immune response modifiers TLR3, MYD88, IFNG KDM4E 3888/4885GPR3 1942/4885ACVR1 320/4885

“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.