SCHEMBL3462935

SCHEMBL3462935

Cc1c(Cl)cccc1CNC(=O)c1cccc(-c2cnc(N)c(C(=O)N[C@H]3CCCNC3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 5/20 0.48
ATR Q13535 5/20 0.46
ACVR2A P27037 1/20 0.46
TGFBR2 P37173 1/20 0.46
NTRK1 P04629 7/20 0.45
CHEK2 O96017 1/20 0.45
MET P08581 1/20 0.45
ACVR1 Q04771 1/20 0.43
NTRK3 Q16288 1/20 0.43
NTRK2 Q16620 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
SCHEMBL3460094 0.93 ATR (0.50) TYRO3ATRACVR2ATGFBR2NTRK1
SCHEMBL3460807 0.93 TYRO3 (0.48) TYRO3ATRACVR2ATGFBR2NTRK1
SCHEMBL3460556 0.91 NTRK1 (0.51) TYRO3ATRNTRK1CHEK2MET
SCHEMBL3461509 0.90 ATR (0.50) TYRO3ATRACVR2ATGFBR2NTRK1
SCHEMBL3460729 0.89 TYRO3 (0.48) TYRO3ATRACVR2ATGFBR2NTRK1
SCHEMBL3461218 0.89 TYRO3 (0.48) TYRO3ATRACVR2ATGFBR2NTRK1
SCHEMBL3459270 0.89 NTRK1 (0.49) TYRO3ATRACVR2ATGFBR2NTRK1
SCHEMBL3462076 0.89 TYRO3 (0.47) TYRO3ATRACVR2ATGFBR2NTRK1
SCHEMBL3459730 0.89 TYRO3 (0.47) TYRO3ATRACVR2ATGFBR2NTRK1
SCHEMBL14238402 0.89 TYRO3 (0.47) TYRO3ATRACVR2ATGFBR2NTRK1

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 8 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
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 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 (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 790/4885ATR 556/4885ACVR2A 2128/4885

“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.