SCHEMBL3491552

SCHEMBL3491552

COc1cc(-c2cnc3[nH]nc(-c4ccccc4OC)c3c2)ccc1C(=O)NCCN(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.49
FYN P06241 2/20 0.47
RAD52 P43351 2/20 0.46
UHRF1 Q96T88 1/20 0.46
MAP4K1 Q92918 1/20 0.46
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
TNIK Q9UKE5 1/20 0.43
WNT1 P04628 2/20 0.43
DYRK1A Q13627 2/20 0.43
ABL1 P00519 1/20 0.42
IGF1R P08069 2/20 0.42
SLC40A1 Q9NP59 1/20 0.42
PTK2 Q05397 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL12343559 0.93 RAD52 (0.46) MCHR1FYNRAD52UHRF1MAP4K1
SCHEMBL12343542 0.93 FYN (0.48) MCHR1FYNRAD52UHRF1MAP4K1
SCHEMBL3489411 0.90 FYN (0.44) MCHR1FYNRAD52UHRF1MAP4K1
SCHEMBL12343305 0.90 FYN (0.53) MCHR1FYNROCK2ROCK1ABL1
SCHEMBL12344666 0.88 FYN (0.62) FYNRAD52MAP4K1ABL1IGF1R
SCHEMBL12344637 0.86 ABL1 (0.54) FYNMAP4K1WNT1DYRK1AABL1
SCHEMBL12343309 0.84 FYN (0.55) MCHR1FYNROCK1WNT1DYRK1A
SCHEMBL11968559 0.82 FYN (0.45) FYNMAP4K1ROCK2ROCK1WNT1
SCHEMBL12343549 0.81 MAP4K1 (0.47) MAP4K1TNIKABL1
SCHEMBL12343552 0.79 DRD2 (0.41) MAP4K1SLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators SGX PHARMACEUTICALS, INC. 2010-02-11 US disclosed
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators SGX PHARMACEUTICALS, INC. 2010-02-11 US disclosed
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators SGX PHARMACEUTICALS, INC. 2010-02-11 US disclosed
EP-2134179-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
WO-2008124850-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 US disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 US disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 US 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-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 MCHR1 3571/4885FYN 372/4885RAD52 2526/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 MCHR1 3571/4885FYN 372/4885RAD52 2526/4885

“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.