SCHEMBL990110

SCHEMBL990110

Cc1ncc(-c2ccc(F)cc2F)n1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
HPGDS O60760 1/20 0.42
MAPT P10636 1/20 0.41
HK1 P19367 1/20 0.41
HTT P42858 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2B Q13224 3/20 0.41
CYP11B2 P19099 1/20 0.40
PDE9A O76083 1/20 0.40
GRM2 Q14416 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
CD74 P04233 1/20 0.39
MIF P14174 1/20 0.39

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
SCHEMBL4533975 0.77 ALDH1A1 (0.39) CYP2C19CYP3A4CYP2D6MAPTHK1
SCHEMBL989287 0.74 TNF (0.45) MAPTHK1HTTHKDC1CYP11B2
SCHEMBL6209919 0.74 MAPT (0.47) MAPTHK1HTTHKDC1CYP11B2
SCHEMBL4830285 0.71 MAPT (0.41) MAPTHK1HTTHKDC1CYP11B2
SCHEMBL989285 0.70 CYP11B1 (0.39) CYP2C19CYP3A4CYP11B2GRM2CYP2C9
SCHEMBL28026195 0.70 CYP2C19 (0.59) CYP2C19CYP3A4CYP2D6HPGDSCYP2C9
SCHEMBL3305062 0.69 HPGDS (0.49) CYP2C19CYP3A4CYP2D6HPGDSMAPT
SCHEMBL11161541 0.69 CYP2C19 (0.54) CYP2C19CYP3A4CYP2D6HPGDSHTT
SCHEMBL989290 0.67 CYP2C19 (0.52) CYP2C19CYP3A4CYP2D6HPGDSMAPT
SCHEMBL6209619 0.67 ALDH1A1 (0.42) CYP2C19CYP3A4MAPTHK1HTT

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-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20090318443-A1 KINASE INHIBITORS BONJOUKLIAN ROSANNE 2009-12-24 US disclosed
US-7582652-B2 Suppression cytokines, tumor necrosis factor; melanoma ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
EP-1713805-B1 KINASE INHIBITORS LILLY CO ELI (US) 2009-06-10 EP disclosed
US-20090036445-A1 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-02-05 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
EP-1713805-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-10-25 EP disclosed
WO-2005075478-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-08-18 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 (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-20090036445-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 CYP2C19 1698/4885CYP3A4 3184/4885CYP2D6 2283/4885
US-20090318443-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 CYP2C19 1698/4885CYP3A4 3184/4885CYP2D6 2283/4885
US-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 CYP2C19 2471/4885CYP3A4 3973/4885CYP2D6 2928/4885

“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.