SCHEMBL3107753

SCHEMBL3107753

COc1ccc(Cn2nc(-c3ccc(C(=O)N4CCOCC4)cc3)c3c(Oc4ccc(N(C(=O)C5(C(N)=O)CC5)c5ccc(F)cc5)cc4F)ccnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
MET P08581 6/20 0.36
KDR P35968 3/20 0.36
TTK P33981 2/20 0.36
PRKAA2 P54646 2/20 0.36
JAK2 O60674 2/20 0.36
TYK2 P29597 2/20 0.36
PLK4 O00444 1/20 0.36
STK25 O00506 1/20 0.36
CIT O14578 1/20 0.36
AURKA O14965 1/20 0.36
CHUK O15111 1/20 0.36
MUSK O15146 1/20 0.36
EPHB6 O15197 1/20 0.36
MAPK13 O15264 1/20 0.36
MAP3K13 O43283 1/20 0.36
DAPK3 O43293 1/20 0.36
MAP3K7 O43318 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
SCHEMBL3094928 0.94 KCNK3 (0.40) KCNK3METKDRPRKAA2JAK2
SCHEMBL3106942 0.91 MET (0.38) KCNK3METKDRRETKIT
SCHEMBL3111347 0.89 MET (0.37) KCNK3SMN1; SMN2METKDRRET
SCHEMBL3097919 0.88 MET (0.35) KCNK3METKDRRETKIT
SCHEMBL3110040 0.87 CCR3 (0.39) METPRKAA2AXLCDK7MERTK
SCHEMBL3107229 0.87 MET (0.35) KCNK3METKDRRETKIT
SCHEMBL3104366 0.87 MET (0.36) KCNK3METKDRNTRK1KIT
SCHEMBL3111090 0.86 MET (0.35) KCNK3METKDRTTKPRKAA2
SCHEMBL3113735 0.86 AXL (0.40) KCNK3HPGDMETKDRAXL
SCHEMBL3110247 0.85 MET (0.42) METKDRTTKPRKAA2JAK2

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
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
EP-2001880-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2008-12-17 EP disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 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 (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-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 KCNK3 1727/4885SMN1; SMN2 1840/4885HPGD 842/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 KCNK3 1727/4885SMN1; SMN2 1840/4885HPGD 842/4885

“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.