SCHEMBL3721979

SCHEMBL3721979

CC(C)Oc1cnc2[nH]ccc2c1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 2/20 0.47
TTBK2 Q6IQ55 2/20 0.47
KDR P35968 2/20 0.45
TRPA1 O75762 4/20 0.42
AXL P30530 1/20 0.41
PRKCI P41743 1/20 0.41
NUDT1 P36639 1/20 0.38
NTRK1 P04629 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
JAK3 P52333 7/20 0.37
JAK2 O60674 6/20 0.37
JAK1 P23458 6/20 0.37
TYK2 P29597 6/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36

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
SCHEMBL15154891 0.82 KDR (0.47) TTBK1TTBK2KDRTRPA1AXL
SCHEMBL1469019 0.79 TTBK1 (0.46) TTBK1TTBK2KDRTRPA1AXL
SCHEMBL21863372 0.77 PRKCI (0.46) TTBK1TTBK2KDRTRPA1AXL
SCHEMBL1468910 0.76 CCNK (0.43) TTBK1TTBK2KDRTRPA1AXL
SCHEMBL2986157 0.76 CIT (0.50) TTBK1TTBK2KDRAXLPRKCI
SCHEMBL21849266 0.74 AXL (0.44) TTBK1TTBK2KDRTRPA1AXL
SCHEMBL24311307 0.74 KDR (0.40) TTBK1TTBK2KDRTRPA1AXL
SCHEMBL15155103 0.73 PRKCI (0.62) TTBK1TTBK2KDRTRPA1AXL
SCHEMBL3721031 0.73 HTR2C (0.48) TTBK1TTBK2JAK3JAK2JAK1
SCHEMBL15155083 0.73 KDR (0.39) KDRTRPA1AXLPRKCINUDT1

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-8841304-B2 Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-23 US disclosed
US-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-08-07 US disclosed
CN-101959887-B Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC 2013-07-31 CN disclosed
EP-2242755-B1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-12 EP disclosed
CN-101959887-A Pyrrolopyridine as kinase inhibitor ARRAY BIOPHARMA INC 2011-01-26 CN disclosed
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-12-23 US disclosed
EP-2242755-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-27 EP disclosed
WO-2009089352-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 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 (2 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-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B TTBK1 91/4885TTBK2 147/4885KDR 3002/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B TTBK1 103/4885TTBK2 157/4885KDR 3048/4885

“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.