SCHEMBL3460880

SCHEMBL3460880

Nc1ncc(Br)nc1C(=O)N[C@H]1CCCN(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.47
PIM3 Q86V86 2/20 0.47
PIM2 Q9P1W9 2/20 0.47
ATR Q13535 10/20 0.45
ACVR2A P27037 1/20 0.45
TGFBR2 P37173 1/20 0.45
ACVR1 Q04771 4/20 0.41
GRM5 P41594 1/20 0.40
PRKDC P78527 1/20 0.37
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL3819913 1.00 PIM1 (0.47) PIM1PIM3PIM2ATRACVR2A
SCHEMBL3460821 0.97 ACVR2A (0.47) PIM1PIM3PIM2ATRACVR2A
SCHEMBL3825296 0.84 USP30 (0.52) PIM1PIM3PIM2
SCHEMBL13401190 0.84 USP30 (0.52) PIM1PIM3PIM2
SCHEMBL13435411 0.84 PIM1 (0.44) PIM1PIM3PIM2ATRACVR2A
SCHEMBL3822820 0.81 USP30 (0.49) PIM1PIM3PIM2ACVR2ATGFBR2
SCHEMBL2321911 0.81 JAK3 (0.42) JAK3
SCHEMBL3460708 0.80 ATR (0.53) ATRACVR2ATGFBR2ACVR1
SCHEMBL3462663 0.77 ATR (0.51) ATRACVR2ATGFBR2ACVR1
SCHEMBL3461148 0.77 ATR (0.51) ATRACVR2ATGFBR2ACVR1

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 6 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 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 PIM1 784/4885PIM3 717/4885PIM2 578/4885

“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.