SCHEMBL4815982

SCHEMBL4815982

CN1CCN(Cc2ccc3c(c2)C(=O)c2c(-c4csc(Br)c4)n[nH]c2-3)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.67
KCNH2 Q12809 5/20 0.67
FLT1 P17948 3/20 0.67
FLT4 P35916 3/20 0.67
CSF1R P07333 2/20 0.67
AURKA O14965 1/20 0.67
MAP4K4 O95819 1/20 0.67
LCK P06239 1/20 0.67
LYN P07948 1/20 0.67
RET P07949 1/20 0.67
FGFR1 P11362 1/20 0.67
CLK2 P49760 1/20 0.67
BLK P51451 1/20 0.67
CAMK2B Q13554 1/20 0.67
CAMK2G Q13555 1/20 0.67
CAMK2D Q13557 1/20 0.67
MELK Q14680 1/20 0.67
NTRK3 Q16288 1/20 0.67
NTRK2 Q16620 1/20 0.67
MINK1 Q8N4C8 1/20 0.67

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
SCHEMBL4814387 0.84 KDR (0.87) KDRKCNH2FLT1FLT4CSF1R
SCHEMBL4813817 0.81 KDR (0.74) KDRKCNH2FLT1FLT4CSF1R
SCHEMBL4811399 0.81 KDR (0.72) KDRKCNH2FLT1FLT4CSF1R
SCHEMBL4813585 0.81 KDR (1.00) KDRKCNH2FLT1FLT4CSF1R
SCHEMBL4808611 0.70 KDR (0.73) KDRKCNH2FLT1FLT4CSF1R
SCHEMBL4891545 0.70 KDR (0.72) KDRKCNH2FLT1FLT4KIT
SCHEMBL4817545 0.70 KDR (0.54) KDRKCNH2FLT1FLT4CSF1R
SCHEMBL4812279 0.68 KDR (0.71) KDRKCNH2FLT1FLT4CSF1R
SCHEMBL4811861 0.68 KDR (0.71) KDRKCNH2FLT1FLT4CSF1R
SCHEMBL4816995 0.67 KDR (0.81) KDRKCNH2FLT1FLT4CSF1R

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 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 (1 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 KDR 666/4885KCNH2 2628/4885FLT1 850/4885

“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.