SCHEMBL3459733

SCHEMBL3459733

CCOc1cccc(-c2cnc(N)c(C(=O)N[C@H]3CCCNC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 8/20 0.55
ACVR2A P27037 1/20 0.51
TGFBR2 P37173 1/20 0.51
ATR Q13535 4/20 0.49
ACVR1 Q04771 2/20 0.49
PRKDC P78527 1/20 0.49
DGAT2 Q96PD7 3/20 0.48
CDK2AP1 O14519 2/20 0.48
CHEK1 O14757 1/20 0.48

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
SCHEMBL3460859 0.92 TYRO3 (0.52) TYRO3ACVR2ATGFBR2ATRACVR1
SCHEMBL3460004 0.91 TYRO3 (0.53) TYRO3ACVR2ATGFBR2ATRACVR1
SCHEMBL3460835 0.91 TYRO3 (0.65) TYRO3ACVR2ATGFBR2ATRACVR1
SCHEMBL3462056 0.90 CHEK1 (0.62) TYRO3ACVR2ATGFBR2ATRACVR1
SCHEMBL3460506 0.86 TYRO3 (0.57) TYRO3ACVR2ATGFBR2ATRACVR1
SCHEMBL3459906 0.85 TYRO3 (0.55) TYRO3ACVR2ATGFBR2ATRACVR1
SCHEMBL3460301 0.85 TYRO3 (0.61) TYRO3ACVR2ATGFBR2ATRACVR1
SCHEMBL3461287 0.85 ATR (0.61) TYRO3ACVR2ATGFBR2ATRACVR1
SCHEMBL3460685 0.84 ACVR1 (0.50) TYRO3ATRACVR1
SCHEMBL3461206 0.84 TYRO3 (0.53) TYRO3ACVR2ATGFBR2ATRACVR1

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
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP claimed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US claimed
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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 (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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 TYRO3 790/4885ACVR2A 2128/4885TGFBR2 3902/4885

“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.