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
SCHEMBL6597974 0.75 CYP2C19 (0.68) CYP2C19CYP3A4CYP2D6TNFKDM4E
SCHEMBL6104023 0.75 ALDH1A1 (0.54) CYP2C19CYP3A4CYP2D6TNFMAPT
SCHEMBL9597447 0.73 CYP2C19 (0.59) CYP2C19CYP3A4CYP2D6TNFKDM4E
SCHEMBL9570331 0.73 CYP2C19 (0.56) CYP2C19CYP3A4CYP2D6TNFMAPT
SCHEMBL1713531 0.73 SMN1; SMN2 (0.55) 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.

Send feedback