SCHEMBL9983706

SCHEMBL9983706

CCOC(=O)c1ncc(-c2ccccc2F)c2c1[nH]c1cc(N3CCOCC3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.45
SOAT1 P35610 1/20 0.45
MAPT P10636 9/20 0.43
GAA P10253 8/20 0.43
JAK2 O60674 3/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 2/20 0.42
LMNA P02545 4/20 0.42
PIK3CA P42336 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MC4R P32245 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 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
SCHEMBL9983736 0.88 BTK (0.51) GAAJAK2JAK1TYK2JAK3
SCHEMBL9983438 0.87 JAK2 (0.46) JAK2JAK1TYK2JAK3TDP1
SCHEMBL9983292 0.86 JAK2 (0.50) JAK2JAK1TYK2JAK3
SCHEMBL12071461 0.83 GABRG2 (0.43) MAPTJAK2TYK2JAK3LMNA
SCHEMBL9983901 0.82 TP53 (0.40) MAPTGAALMNASMN1; SMN2TDP1
SCHEMBL9983617 0.81 BTK (0.50) MAPTJAK2SIRT2SIRT1TYK2
SCHEMBL9983548 0.77 GABRA1 (0.41) MAPTGAALMNASMN1; SMN2TDP1
SCHEMBL9983733 0.76 JAK2 (0.43) MAPTJAK2ALDH1A1ALOX5
SCHEMBL9983825 0.76 JAK2 (0.49) JAK2JAK1TYK2JAK3
SCHEMBL9983448 0.75 JAK2 (0.53) JAK2JAK1TYK2JAK3

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
EP-2582668-B1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-01-13 EP disclosed
EP-2582668-B1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-01-13 EP disclosed
EP-2582668-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2013-04-24 EP disclosed
US-20130096118-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 US disclosed
US-20130096118-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 US disclosed
WO-2011159857-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-22 WO disclosed
WO-2011159857-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-22 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-20130096118-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, PRKACA, CILK1 DGAT1 2457/4885SOAT1 2906/4885MAPT 4115/4885

“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.