SCHEMBL3460819

SCHEMBL3460819

CNC(=O)c1nc(-c2cccc(C(=O)NCc3cccc(N4CCOCC4)c3)c2)cnc1N

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATR Q13535 9/20 0.64
KDM1A O60341 2/20 0.57
HDAC1 Q13547 2/20 0.57
PRKCA P17252 1/20 0.55
PRKCQ Q04759 1/20 0.55
PRKCI P41743 1/20 0.49
PIK3CD O00329 2/20 0.49
PIK3CA P42336 2/20 0.49
PIK3CG P48736 2/20 0.49
PIK3CB P42338 1/20 0.48
JAK2 O60674 3/20 0.47
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 1/20 0.46
KLKB1 P03952 1/20 0.45
MAP4K1 Q92918 1/20 0.45

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
SCHEMBL3460624 0.93 ATR (0.59) ATRKDM1AHDAC1PRKCAPRKCQ
SCHEMBL3462410 0.91 ATR (0.67) ATRKDM1AHDAC1PRKCAPRKCQ
SCHEMBL3462225 0.86 ATR (0.59) ATRPRKCAPRKCQPRKCIPIK3CD
SCHEMBL3460945 0.85 ATR (0.55) ATRPRKCAPRKCQPIK3CDPIK3CA
SCHEMBL3469202 0.85 ATR (0.49) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3462032 0.85 PIK3CD (0.58) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3460577 0.85 KDM1A (0.54) ATRKDM1AHDAC1PIK3CDPIK3CA
SCHEMBL3459745 0.84 ROCK1 (0.59) ATRKDM1AHDAC1PIK3CDPIK3CA
SCHEMBL3459849 0.83 PIK3CD (0.60) ATRPIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL3460933 0.82 PIK3CD (0.57) ATRPIK3CDPIK3CAPIK3CGPIK3CB

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 ATR 556/4885KDM1A 2334/4885HDAC1 923/4885

“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.