SCHEMBL989290

SCHEMBL989290

Cc1ncc(Br)n1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TNF P01375 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 3/20 0.46
POLB P06746 2/20 0.46
TSHR P16473 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NR2F2 P24468 2/20 0.43
GALR3 O60755 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
HPGDS O60760 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 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
SCHEMBL28026195 0.81 CYP2C19 (0.59) CYP2C19CYP3A4CYP2D6TNFKDM4E
SCHEMBL27172033 0.80 KDM4E (0.56) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL11161541 0.80 CYP2C19 (0.54) CYP2C19CYP3A4CYP2D6TNFKDM4E
SCHEMBL4533975 0.76 ALDH1A1 (0.39) CYP2C19CYP3A4CYP2D6TNFMAPT
SCHEMBL14005999 0.76 POLB (0.66) CYP2C19CYP3A4CYP2D6TNFKDM4E
SCHEMBL6104023 0.75 ALDH1A1 (0.54) CYP2C19CYP3A4CYP2D6TNFMAPT
SCHEMBL6597974 0.75 CYP2C19 (0.68) CYP2C19CYP3A4CYP2D6TNFKDM4E
SCHEMBL1713531 0.73 SMN1; SMN2 (0.55) CYP2C19CYP3A4CYP2D6TNFKDM4E
SCHEMBL9570331 0.73 CYP2C19 (0.56) CYP2C19CYP3A4CYP2D6TNFMAPT
SCHEMBL9597447 0.73 CYP2C19 (0.59) CYP2C19CYP3A4CYP2D6TNFKDM4E

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 12 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
CN-100516064-C Kinase inhibitors LILLY CO ELI (US) 2009-07-22 CN 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
CN-1938302-A Kinase inhibitors LILLY CO ELI (US) 2007-03-28 CN disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
EP-1713805-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-10-25 EP disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 WO 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.