SCHEMBL3023675

SCHEMBL3023675

CCOC(=O)c1cc2ccncc2n1Cc1ccc(I)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.43
NOD1 Q9Y239 2/20 0.43
F10 P00742 3/20 0.42
MAPT P10636 9/20 0.41
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
TSHR P16473 2/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3024357 0.90 MAPT (0.48) F10MAPTALDH1A1TSHRKMT2A
SCHEMBL3033844 0.85 CCR2 (0.40) MAPT
SCHEMBL3024131 0.83 ECE1 (0.34) MAPTNAMPTMAP2K2MAP2K1
SCHEMBL4907168 0.79 MAPT (0.51) NOD2NOD1F10MAPTKDM4E
SCHEMBL3034236 0.79 CYP2C9 (0.48) MAP2K2MAP2K1
SCHEMBL2811033 0.78 F10 (0.56) NOD2NOD1F10MAPTKDM4E
SCHEMBL3039673 0.77 MAP2K1 (0.42) MAPTTDP1MEN1KMT2AMAP2K2
SCHEMBL12083414 0.76 MAP2K1 (0.50) MAPK1MAP2K2MAP2K1
SCHEMBL12085726 0.74 KCNH2 (0.40) MAPTMAP2K1
SCHEMBL2945848 0.74 ALDH1A1 (0.44) NOD2NOD1MAPTKDM4EALDH1A1

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-2164850-B1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH INC (US) 2016-01-13 EP disclosed
EP-2164850-B1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH INC (US) 2016-01-13 EP disclosed
US-8258152-B2 N-substituted azaindoles and methods of use GENENTECH, INC. (US) 2012-09-04 US disclosed
US-20100216768-A1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH, INC. 2010-08-26 US disclosed
EP-2164850-A2 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE Genetech, Inc. (US) 2010-03-24 EP disclosed
WO-2008157179-A2 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH, INC. (US) 2008-12-24 WO disclosed
WO-2008157179-A2 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE GENENTECH, INC. (US) 2008-12-24 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-20100216768-A1 N-SUBSTITUTED AZAINDOLES AND METHODS OF USE MKI67, CCNI, CDKN1A NOD2 1894/4885NOD1 1716/4885F10 4216/4885

“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.