SCHEMBL12299447

SCHEMBL12299447

Cc1cn2cc(C(C)(C)C)nc2s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
MAPT P10636 2/20 0.33
PDE8B O95263 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HPGD P15428 2/20 0.31
CYP1A2 P05177 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TPH1 P17752 1/20 0.30
TPH2 Q8IWU9 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL18806120 0.81
SCHEMBL18634497 0.79 KDM4E (0.33) KDM4ENPC1LMNAHTTRAB9A
SCHEMBL3459088 0.77 CYP19A1 (0.49) CYP19A1MAPTPDE8BKDM4EALDH1A1
Bromide SCHEMBL10970945 0.75 CYP19A1 (0.47) CYP19A1PDE8BKDM4EALDH1A1HPGD
SCHEMBL13248500 0.69 NPC1 (0.44) CYP19A1MAPTKDM4EALDH1A1NPC1
SCHEMBL5799043 0.68 PDE8B (0.43) CYP19A1MAPTPDE8BTP53TPH1
SCHEMBL17863729 0.68 CYP19A1 (0.45) CYP19A1MAPTPDE8BKDM4EALDH1A1
SCHEMBL12299450 0.68 TP53 (0.50) MAPTKDM4ENPC1RAB9ATP53
SCHEMBL12299461 0.68 NPC1 (0.32) MAPTNPC1RAB9A
SCHEMBL21760983 0.67 WDR91 (0.32) CYP19A1

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 7 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-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-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-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-20140080756-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5]NONANE DERIVATIVES PFIZER INC. (US) 2014-03-20 US disclosed
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES PFIZER INC. 2011-09-22 US disclosed
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES PFIZER INC. 2011-09-22 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 (4 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 CYP19A1 2640/4885MAPT 285/4885PDE8B 1870/4885
US-10039753-B2 Imidazo[4,5-c]quinoline and imidazo[4,5-c][1,5]naphthyridine derivatives as LRRK2 inhibitors LRRK2, PARK7, SNCA CYP19A1 2420/4885MAPT 246/4885PDE8B 1878/4885
US-20140080756-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5]NONANE DERIVATIVES GIPR, GLP1R, GHSR CYP19A1 830/4885MAPT 4349/4885PDE8B 1701/4885
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES GIPR, GLP1R, GHSR CYP19A1 965/4885MAPT 4319/4885PDE8B 1880/4885

“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.