SCHEMBL973655

SCHEMBL973655

CN1CCN(c2ccc(Nc3nccc(-c4cccnc4Oc4ccc(Nc5nc6cc(F)c(F)cc6[nH]5)cc4)n3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 4/20 0.57
CDK2 P24941 4/20 0.49
KDR P35968 3/20 0.49
CDK4 P11802 3/20 0.49
GSK3B P49841 1/20 0.49
JAK2 O60674 1/20 0.47
PDE10A Q9Y233 3/20 0.46
EGFR P00533 1/20 0.46
FLT3 P36888 3/20 0.45
MAPK1 P28482 1/20 0.45
MAP2K1 Q02750 1/20 0.45
EIF2AK2 P19525 1/20 0.45
CCNE1 P24864 3/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CDK7 P50613 1/20 0.45
CCNH P51946 1/20 0.45
MNAT1 P51948 1/20 0.45
STK17A Q9UEE5 1/20 0.43
ACVR1 Q04771 1/20 0.43

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
SCHEMBL971767 0.92 TEK (0.58) TEKCDK2KDRCDK4GSK3B
SCHEMBL974773 0.88 PDE10A (0.60) TEKCDK2KDRCDK4GSK3B
SCHEMBL972422 0.87 TEK (0.70) TEKCDK2KDRCDK4GSK3B
SCHEMBL974459 0.86 TEK (0.54) TEKKDRPDE10A
SCHEMBL972826 0.85 TEK (0.77) TEKKDRPDE10A
SCHEMBL975223 0.84 TEK (0.61) TEKKDRGSK3BPDE10A
SCHEMBL974107 0.81 TEK (0.52) TEKKDRCDK4GSK3BPDE10A
SCHEMBL971968 0.80 TEK (0.59) TEKKDRGSK3BPDE10A
SCHEMBL974134 0.80 TEK (0.52) TEKKDRCDK4GSK3BPDE10A
SCHEMBL973024 0.79 TEK (0.73) TEKKDRPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868177-B2 Multi-cyclic compounds and method of use AMGEN INC. (US) 2011-01-11 US disclosed
US-7868177-B2 Multi-cyclic compounds and method of use AMGEN INC. (US) 2011-01-11 US disclosed
US-7868177-B2 Multi-cyclic compounds and method of use AMGEN INC. (US) 2011-01-11 US disclosed
EP-1994030-B1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2010-08-25 EP disclosed
EP-1994030-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2008-11-26 EP disclosed
US-20070213325-A1 Multi-cyclic compound and method of use AMGEN INC. (US) 2007-09-13 US disclosed
US-20070213325-A1 Multi-cyclic compound and method of use AMGEN INC. (US) 2007-09-13 US disclosed
US-20070213325-A1 Multi-cyclic compound and method of use AMGEN INC. (US) 2007-09-13 US disclosed
WO-2007100646-A1 MULTI-CYCLIC COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2007-09-07 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-20070213325-A1 Multi-cyclic compound and method of use TIE1, CDK1, CCNB1 TEK 22/4885CDK2 4/4885KDR 12/4885

“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.